benzyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
benzyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-6800 |
| Compound Name: | benzyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(NC(=C1C#N)SCC(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1851 |
| logD: | 3.1296 |
| logSw: | -3.3258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.208 |
| InChI Key: | RAWTZSRLNMWBDC-QGZVFWFLSA-N |