3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
Chemical Structure Depiction of
3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid
Compound characteristics
| Compound ID: | 1465-0005 |
| Compound Name: | 3-[2-(benzylsulfanyl)-1H-benzimidazol-1-yl]propanoic acid |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C17 H16 N2 O2 S |
| Smiles: | C(Cn1c2ccccc2nc1SCc1ccccc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.821 |
| logD: | 0.0137 |
| logSw: | -3.2 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.111 |
| InChI Key: | CJNLUAPDQIJRJN-UHFFFAOYSA-N |