ethyl 2-({[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-({[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
ethyl 2-({[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V031-2633 |
| Compound Name: | ethyl 2-({[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl}sulfanyl)-1-[(pyridin-2-yl)methyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 523.94 |
| Molecular Formula: | C24 H18 Cl F4 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccccn1)SCc1cc(cc(c1F)[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.036 |
| logD: | 6.8667 |
| logSw: | -6.4164 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.774 |
| InChI Key: | XJEDIFXEYOPQLC-UHFFFAOYSA-N |