butyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
butyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
butyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3331-4095 |
| Compound Name: | butyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 364.48 |
| Molecular Formula: | C17 H20 N2 O3 S2 |
| Smiles: | CCCCOC(CSC1=C(C#N)C(CC(N1)=O)c1c(C)ccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2523 |
| logD: | 3.1946 |
| logSw: | -3.282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.658 |
| InChI Key: | UHSNLVBURNJDPW-GFCCVEGCSA-N |