3-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}propanoic acid
Chemical Structure Depiction of
3-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}propanoic acid
3-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}propanoic acid
Compound characteristics
| Compound ID: | 1349-0007 |
| Compound Name: | 3-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}propanoic acid |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | C(Cn1c2ccccc2nc1SCCOc1ccccc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9453 |
| logD: | 0.1379 |
| logSw: | -3.2816 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.529 |
| InChI Key: | PHAJRNLHWLJQLC-UHFFFAOYSA-N |