3-(2-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
Chemical Structure Depiction of
3-(2-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
3-(2-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | F985-0582 |
| Compound Name: | 3-(2-{[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide |
| Molecular Weight: | 481.58 |
| Molecular Formula: | C27 H23 N5 O2 S |
| Smiles: | Cc1ccc(CNC(c2cccc(c2)n2ccnc2SCC(Nc2ccccc2C#N)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8257 |
| logD: | 3.8246 |
| logSw: | -3.9127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.439 |
| InChI Key: | ZNXQYPSLPSHVIV-UHFFFAOYSA-N |