methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H-benzimidazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H-benzimidazole-6-carboxylate
methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H-benzimidazole-6-carboxylate
Compound characteristics
| Compound ID: | C797-0517 |
| Compound Name: | methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-1-methyl-1H-benzimidazole-6-carboxylate |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C17 H15 F N2 O2 S |
| Smiles: | Cn1c2cc(ccc2nc1SCc1ccc(cc1)F)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9616 |
| logD: | 3.9614 |
| logSw: | -4.1441 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.733 |
| InChI Key: | DBAHMOXDWDPHII-UHFFFAOYSA-N |