methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-benzimidazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-benzimidazole-6-carboxylate
methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-benzimidazole-6-carboxylate
Compound characteristics
| Compound ID: | C797-0344 |
| Compound Name: | methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1H-benzimidazole-6-carboxylate |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C16 H13 F N2 O2 S |
| Smiles: | COC(c1ccc2c(c1)[nH]c(n2)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5356 |
| logD: | 3.5344 |
| logSw: | -3.897 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.154 |
| InChI Key: | ZDSUJBJSWJFXCB-UHFFFAOYSA-N |