2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylpentanoic acid
Chemical Structure Depiction of
2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylpentanoic acid
2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylpentanoic acid
Compound characteristics
| Compound ID: | 8019-0370 |
| Compound Name: | 2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylpentanoic acid |
| Molecular Weight: | 264.34 |
| Molecular Formula: | C13 H16 N2 O2 S |
| Smiles: | CCCC(C)(C(O)=O)Sc1c(C#N)ccc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2345 |
| logD: | 0.2751 |
| logSw: | -3.1795 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.256 |
| InChI Key: | JFYKILGURBFFIK-ZDUSSCGKSA-N |