butyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
butyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
butyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3331-4001 |
| Compound Name: | butyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C17 H20 N2 O4 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(C)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7892 |
| logD: | 2.7315 |
| logSw: | -3.1459 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.732 |
| InChI Key: | WPGZWHUVYUGHGU-GFCCVEGCSA-N |