N-(5-chloro-2-methoxyphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E008-0161 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C23 H21 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1NC(CSCc1cnn(c2ccccc2)c1n1cccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2998 |
| logD: | 5.2667 |
| logSw: | -5.8247 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.905 |
| InChI Key: | NZRCQQJAVDBQLK-UHFFFAOYSA-N |