2-{[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}-2-methylpropanoic acid
Chemical Structure Depiction of
2-{[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}-2-methylpropanoic acid
2-{[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}-2-methylpropanoic acid
Compound characteristics
| Compound ID: | 8016-1364 |
| Compound Name: | 2-{[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl}-2-methylpropanoic acid |
| Molecular Weight: | 278.37 |
| Molecular Formula: | C14 H18 N2 O2 S |
| Smiles: | CC(C)Cc1ccc(C#N)c(n1)SC(C)(C)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5572 |
| logD: | 0.567 |
| logSw: | -3.671 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.945 |
| InChI Key: | UIUNFSJRIYSOLL-UHFFFAOYSA-N |