2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 8007-8276 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-enenitrile |
| Molecular Weight: | 291.37 |
| Molecular Formula: | C17 H13 N3 S |
| Smiles: | CSc1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3716 |
| logD: | 4.3707 |
| logSw: | -4.4278 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.314 |
| InChI Key: | WWKDAMGCEWPKAZ-UHFFFAOYSA-N |