methyl 4-[(3-cyano-5,6-dimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
methyl 4-[(3-cyano-5,6-dimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
methyl 4-[(3-cyano-5,6-dimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8294-0252 |
| Compound Name: | methyl 4-[(3-cyano-5,6-dimethylpyridin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C13 H14 N2 O3 S |
| Smiles: | Cc1cc(C#N)c(nc1C)SCC(CC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7424 |
| logD: | 1.7421 |
| logSw: | -2.1605 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.953 |
| InChI Key: | GMVSEIDEUMUBMW-UHFFFAOYSA-N |