2-[(1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoic acid
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoic acid
2-[(1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoic acid
Compound characteristics
| Compound ID: | Y508-7201 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-3-(4-methylphenyl)propanoic acid |
| Molecular Weight: | 312.39 |
| Molecular Formula: | C17 H16 N2 O2 S |
| Smiles: | Cc1ccc(CC(C(O)=O)Sc2nc3ccccc3[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5408 |
| logD: | 0.3924 |
| logSw: | -3.5788 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.388 |
| InChI Key: | QATPKVVHVNKVMB-HNNXBMFYSA-N |