benzyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
benzyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-7835 |
| Compound Name: | benzyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C20 H18 N2 O3 S2 |
| Smiles: | Cc1ccsc1C1CC(NC(=C1C#N)SCC(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6498 |
| logD: | 3.5921 |
| logSw: | -3.89 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.468 |
| InChI Key: | NJCQCDHOIYSPKJ-OAHLLOKOSA-N |