3-(2-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
Chemical Structure Depiction of
3-(2-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
3-(2-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}-1H-imidazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | F985-0584 |
| Compound Name: | 3-(2-{[2-(4-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(Nc2ccc(C#N)cc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.063 |
| logD: | 4.0624 |
| logSw: | -4.0328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.136 |
| InChI Key: | HSFGXTGCUBYNOZ-UHFFFAOYSA-N |