ethyl 2-{[(2-methyl-3-nitrophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-methyl-3-nitrophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(2-methyl-3-nitrophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-1109 |
| Compound Name: | ethyl 2-{[(2-methyl-3-nitrophenyl)methyl]sulfanyl}-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 529.54 |
| Molecular Formula: | C26 H22 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1ccc(cc1)C(F)(F)F)SCc1cccc(c1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7345 |
| logD: | 7.696 |
| logSw: | -5.6981 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.312 |
| InChI Key: | SGOVONDOOLLKEG-UHFFFAOYSA-N |