ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V006-0342 |
| Compound Name: | ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 548.97 |
| Molecular Formula: | C26 H20 Cl F3 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccc(cc1)C(F)(F)F)SCc1cc2c(cc1[Cl])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9482 |
| logD: | 7.9411 |
| logSw: | -6.6032 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.347 |
| InChI Key: | JSFSAILQQZARSE-UHFFFAOYSA-N |