methyl 2-[(3-cyano-6-propylpyridin-2-yl)sulfanyl]-2-methylpropanoate
Chemical Structure Depiction of
methyl 2-[(3-cyano-6-propylpyridin-2-yl)sulfanyl]-2-methylpropanoate
methyl 2-[(3-cyano-6-propylpyridin-2-yl)sulfanyl]-2-methylpropanoate
Compound characteristics
| Compound ID: | 8019-0589 |
| Compound Name: | methyl 2-[(3-cyano-6-propylpyridin-2-yl)sulfanyl]-2-methylpropanoate |
| Molecular Weight: | 278.37 |
| Molecular Formula: | C14 H18 N2 O2 S |
| Smiles: | CCCc1ccc(C#N)c(n1)SC(C)(C)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9335 |
| logD: | 3.9334 |
| logSw: | -3.9953 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.711 |
| InChI Key: | KGVOSAOJGLOZNE-UHFFFAOYSA-N |