2-[(3-cyano-6-propylpyridin-2-yl)sulfanyl]-2-methylpropanoic acid
Chemical Structure Depiction of
2-[(3-cyano-6-propylpyridin-2-yl)sulfanyl]-2-methylpropanoic acid
2-[(3-cyano-6-propylpyridin-2-yl)sulfanyl]-2-methylpropanoic acid
Compound characteristics
| Compound ID: | 8016-1203 |
| Compound Name: | 2-[(3-cyano-6-propylpyridin-2-yl)sulfanyl]-2-methylpropanoic acid |
| Molecular Weight: | 264.34 |
| Molecular Formula: | C13 H16 N2 O2 S |
| Smiles: | CCCc1ccc(C#N)c(n1)SC(C)(C)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2419 |
| logD: | 0.2518 |
| logSw: | -3.2063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.945 |
| InChI Key: | BMQRLRFZGXWJHM-UHFFFAOYSA-N |