ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V005-9736 |
| Compound Name: | ethyl 2-{[(3-chlorophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 504.96 |
| Molecular Formula: | C25 H20 Cl F3 N2 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccc(cc1)C(F)(F)F)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.9103 |
| logD: | 7.9032 |
| logSw: | -6.4751 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2311 |
| InChI Key: | XJPCARVGAOIPAH-UHFFFAOYSA-N |