Har yanzu ba a sanya C38H37N3O8 ba
Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
Nauyin Kwayoyin Halitta | 663.72 | - |
Girma (An annabta) | 1.304± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
pKa (An annabta) | 8.27± 0.10 | Mafi yawan zafin jiki: 25 ° C |
Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
MURMUSHI
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChi
InChi=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-) 2)20-16-28)48-24-33-32 (42)21-34 (49-33)4 1-23-31 (36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40) ,44,45)/t32-
,33+,34+/m0/s1
InChi Key
NZBGRVLZISPURB-LBFZIJHGSA-N
Properties akwai |
Halittu |
Properties akwai |
Chemical |
Yawan yawa |
Lipinski |
Tsarin Yanayi |
Halittu
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 5250 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 5250 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 5260 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 5260 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 5250 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 5200 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 4720 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2460 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 466 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 96.9 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Dukiya | Daraja | Sharadi | Source |
Koc | 16000 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 16000 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 16000 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 16000 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 16000 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 15800 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 14400 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 7510 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 1420 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 296 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logD | 5.20 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 5.20 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 5.20 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
logD | 5.20 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 5.20 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 5.19 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 5.15 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 4.87 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 4.15 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 3.46 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 5.198± 0.644 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 9.3 x 10-6 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.3 x 10-6 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.3 x 10-6 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.3 x 10-6 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.3 x 10-6 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.3 x 10-6 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 9.3 x 10-6 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.1 x 10-5 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.0 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.1 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 5.1 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.1 x 10-5 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 1.4 x 10-8 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-8 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-8 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-8 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-8 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-8 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-8 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.6 x 10-8 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.0 x 10-8 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.6 x 10-7 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 7.7 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.6 x 10-8 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Nauyin Kwayoyin Halitta | 663.72 | ||
pKa | 8.27± 0.10 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | -1.66±0.20 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Yawan yawa
Dukiya | Daraja | Sharadi | Source |
Yawan yawa | 1.304± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
Ƙarar Molar | 508.6± 3.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Dukiya | Daraja | Sharadi | Source |
Ƙimar Rarraba Kyauta | 13 | (1) ACD | |
H Masu karɓa | 11 | (1) ACD | |
H Masu Ba da taimako | 3 | (1) ACD | |
H Donor/Acceptor Sum | 14 | (1) ACD | |
logP | 5.198± 0.644 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 663.72 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tsarin Yanayi
Dukiya | Daraja | Sharadi | Source |
Wuri Mai Girma | 136 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1H NMR
13C NMR