2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 2188-0755 |
| Compound Name: | 2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C20 H16 N4 O4 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(Nc1ccccc1)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6025 |
| logD: | 2.547 |
| logSw: | -3.1523 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.146 |
| InChI Key: | OJKNQXGZULLCFE-OAHLLOKOSA-N |