ethyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
ethyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4296-0173 |
| Compound Name: | ethyl {[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | CCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6177 |
| logD: | 2.5622 |
| logSw: | -2.8664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.346 |
| InChI Key: | DNFVFWJEFVGSDO-CYBMUJFWSA-N |