ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-benzimidazole-5-carboxylate
ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V008-2974 |
| Compound Name: | ethyl 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-[(3-fluorophenyl)methyl]-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 498.96 |
| Molecular Formula: | C25 H20 Cl F N2 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2Cc1cccc(c1)F)SCc1cc2c(cc1[Cl])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1976 |
| logD: | 7.1905 |
| logSw: | -6.4982 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.347 |
| InChI Key: | QOQKYDGORKALCU-UHFFFAOYSA-N |