ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V005-6475 |
| Compound Name: | ethyl 2-{[(4-cyanophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 495.52 |
| Molecular Formula: | C26 H20 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccc(cc1)C(F)(F)F)SCc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6318 |
| logD: | 6.6247 |
| logSw: | -5.6812 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.287 |
| InChI Key: | AQAWTBAZGJMRNZ-UHFFFAOYSA-N |