methyl (2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
Chemical Structure Depiction of
methyl (2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
methyl (2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
Compound characteristics
| Compound ID: | D347-0587 |
| Compound Name: | methyl (2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C18 H17 Cl N2 O3 S |
| Smiles: | COC(Cn1c2ccccc2nc1SCCOc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3393 |
| logD: | 4.3352 |
| logSw: | -4.5673 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.746 |
| InChI Key: | PZOKWRSTYRKJTR-UHFFFAOYSA-N |