methyl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2188-1783 |
| Compound Name: | methyl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 346.4 |
| Molecular Formula: | C17 H18 N2 O4 S |
| Smiles: | CCOc1ccc(cc1)C1CC(NC(=C1C#N)SCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8922 |
| logD: | 1.8367 |
| logSw: | -2.5692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.89 |
| InChI Key: | VKGINMOSKBSCDT-CYBMUJFWSA-N |