methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8003-0395 |
| Compound Name: | methyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C12 H12 N2 O3 S |
| Smiles: | CC(c1cc(C#N)c(nc1C)SCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4671 |
| logD: | 1.4671 |
| logSw: | -2.0277 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.024 |
| InChI Key: | YOKVUUVRULZTDK-UHFFFAOYSA-N |