N-[(4-methylphenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-[(4-methylphenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E008-0107 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C24 H24 N4 O S |
| Smiles: | Cc1ccc(CNC(CSCc2cnn(c3ccccc3)c2n2cccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1517 |
| logD: | 5.1516 |
| logSw: | -4.8672 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.295 |
| InChI Key: | KIYZGPZWZYPHQE-UHFFFAOYSA-N |