2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 4554-6403 |
| Compound Name: | 2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C20 H15 F N4 O4 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(Nc1ccccc1[N+]([O-])=O)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6787 |
| logD: | 2.6232 |
| logSw: | -3.1878 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.448 |
| InChI Key: | ZUAWNSSJUBHECA-CQSZACIVSA-N |