ethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
ethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate
Compound characteristics
| Compound ID: | V005-5755 |
| Compound Name: | ethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-1-{3-[(propan-2-yl)oxy]propyl}-1H-benzimidazole-5-carboxylate |
| Molecular Weight: | 447 |
| Molecular Formula: | C23 H27 Cl N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc2c(c1)nc(n2CCCOC(C)C)SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.157 |
| logD: | 6.1556 |
| logSw: | -6.0813 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.682 |
| InChI Key: | NFVJTIDBVWQPTN-UHFFFAOYSA-N |