benzyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
benzyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]acetate
benzyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8001-8136 |
| Compound Name: | benzyl [(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C18 H18 N2 O2 S |
| Smiles: | CCc1c(C)cc(C#N)c(n1)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3472 |
| logD: | 4.3472 |
| logSw: | -4.539 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.57 |
| InChI Key: | AHKGXWNTWHIYQS-UHFFFAOYSA-N |