benzyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
benzyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
benzyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8003-0398 |
| Compound Name: | benzyl [(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | CC(c1cc(C#N)c(nc1C)SCC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3277 |
| logD: | 3.3277 |
| logSw: | -3.6996 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.708 |
| InChI Key: | KPXCNJCJBSCDPD-UHFFFAOYSA-N |