methyl (2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
Chemical Structure Depiction of
methyl (2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
methyl (2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate
Compound characteristics
| Compound ID: | D347-0988 |
| Compound Name: | methyl (2-{[2-(3,5-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | Cc1cc(C)cc(c1)OCCSc1nc2ccccc2n1CC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6276 |
| logD: | 4.6236 |
| logSw: | -4.4791 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.746 |
| InChI Key: | LXARAJPNRYLTOJ-UHFFFAOYSA-N |