methyl {2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}acetate
Chemical Structure Depiction of
methyl {2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}acetate
methyl {2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}acetate
Compound characteristics
| Compound ID: | D347-0046 |
| Compound Name: | methyl {2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}acetate |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | COC(Cn1c2ccccc2nc1SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.716 |
| logD: | 3.712 |
| logSw: | -3.9019 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.746 |
| InChI Key: | QSRDKIPWQYPCFO-UHFFFAOYSA-N |