benzyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
benzyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-6589 |
| Compound Name: | benzyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C20 H18 N2 O4 S |
| Smiles: | Cc1ccc(C2CC(NC(=C2C#N)SCC(=O)OCc2ccccc2)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1866 |
| logD: | 3.1289 |
| logSw: | -3.3681 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.542 |
| InChI Key: | CPSIHVRTAHQWBZ-HNNXBMFYSA-N |