N-(5-chloro-2-methylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-(5-chloro-2-methylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C795-0586 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 436.96 |
| Molecular Formula: | C23 H21 Cl N4 O S |
| Smiles: | Cc1ccc(cc1NC(CSCc1cnn(c2ccccc2)c1n1cccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5041 |
| logD: | 5.502 |
| logSw: | -5.8291 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.275 |
| InChI Key: | AMKKLCITLHVAAI-UHFFFAOYSA-N |