2-[({1-[(2-carboxyphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoic acid
Chemical Structure Depiction of
2-[({1-[(2-carboxyphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoic acid
2-[({1-[(2-carboxyphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoic acid
Compound characteristics
| Compound ID: | 8016-5652 |
| Compound Name: | 2-[({1-[(2-carboxyphenyl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]benzoic acid |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C23 H18 N2 O4 S |
| Smiles: | C(c1ccccc1C(O)=O)n1c2ccccc2nc1SCc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4804 |
| logD: | 1.7485 |
| logSw: | -5.5556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.294 |
| InChI Key: | VEHAWJOIDCNYLT-UHFFFAOYSA-N |