ethyl 2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-benzimidazole-5-carboxylate
ethyl 2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V006-9207 |
| Compound Name: | ethyl 2-{[(4-chloro-2-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 450.96 |
| Molecular Formula: | C22 H24 Cl F N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOCCCn1c2ccc(cc2nc1SCc1ccc(cc1F)[Cl])C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 6.3601 |
| logD: | 6.3597 |
| logSw: | -6.2583 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.458 |
| InChI Key: | KDIMQMDAFUWOTG-UHFFFAOYSA-N |