2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoic acid
2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 4729-0023 |
| Compound Name: | 2-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(Nc1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1458 |
| logD: | -1.2671 |
| logSw: | -3.3815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.436 |
| InChI Key: | JXEFSAMWNSQDOA-UHFFFAOYSA-N |