N-[(3-chlorophenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-[(3-chlorophenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E008-0048 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-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: | C(c1cccc(c1)[Cl])NC(CSCc1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4256 |
| logD: | 5.4256 |
| logSw: | -5.9066 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.295 |
| InChI Key: | BIAAIZOKYNLQCE-UHFFFAOYSA-N |