ethyl 4-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-7035 |
| Compound Name: | ethyl 4-[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C15 H18 N2 O3 S |
| Smiles: | CCc1c(C)cc(C#N)c(n1)SCC(CC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6649 |
| logD: | 2.6648 |
| logSw: | -2.8575 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.222 |
| InChI Key: | RTIUWRUBQAYDPQ-UHFFFAOYSA-N |