ethyl {[3-cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
ethyl {[3-cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2188-0753 |
| Compound Name: | ethyl {[3-cyano-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 361.37 |
| Molecular Formula: | C16 H15 N3 O5 S |
| Smiles: | CCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.04 |
| logD: | 1.9845 |
| logSw: | -2.702 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.727 |
| InChI Key: | NMFMGPZVHQFOCH-GFCCVEGCSA-N |