2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylbutanoic acid
Chemical Structure Depiction of
2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylbutanoic acid
2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylbutanoic acid
Compound characteristics
| Compound ID: | 8019-0369 |
| Compound Name: | 2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-methylbutanoic acid |
| Molecular Weight: | 250.32 |
| Molecular Formula: | C12 H14 N2 O2 S |
| Smiles: | CCC(C)(C(O)=O)Sc1c(C#N)ccc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6976 |
| logD: | -0.2618 |
| logSw: | -2.8088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.256 |
| InChI Key: | BECXSNPGKJSMPZ-LBPRGKRZSA-N |