4-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid
4-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 7954-2178 |
| Compound Name: | 4-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C16 H14 N2 O2 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3318 |
| logD: | 0.3604 |
| logSw: | -3.2817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.985 |
| InChI Key: | OEEKWSIWANIIHO-UHFFFAOYSA-N |