3-{[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid
Chemical Structure Depiction of
3-{[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid
3-{[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid
Compound characteristics
| Compound ID: | D058-0256 |
| Compound Name: | 3-{[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]sulfanyl}propanoic acid |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | C(CSc1nc2ccccc2n1CCOc1ccccc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.74 |
| logD: | 1.0443 |
| logSw: | -3.9019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.529 |
| InChI Key: | UPRAXQDJCBOLJY-UHFFFAOYSA-N |