ethyl 2-{[(2-bromo-5-fluorophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-bromo-5-fluorophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(2-bromo-5-fluorophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-1982 |
| Compound Name: | ethyl 2-{[(2-bromo-5-fluorophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 567.4 |
| Molecular Formula: | C25 H19 Br F4 N2 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccc(cc1)C(F)(F)F)SCc1cc(ccc1[Br])F)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2911 |
| logD: | 8.284 |
| logSw: | -5.7231 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2311 |
| InChI Key: | HXXQGVKBHGGHIF-UHFFFAOYSA-N |