3-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
3-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | D058-0061 |
| Compound Name: | 3-[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 301.16 |
| Molecular Formula: | C10 H9 Br N2 O2 S |
| Smiles: | C(CSc1nc2cc(ccc2[nH]1)[Br])C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0656 |
| logD: | -0.6301 |
| logSw: | -2.6656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.635 |
| InChI Key: | HOZIZHLTEQHZBJ-UHFFFAOYSA-N |