2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 4554-6415 |
| Compound Name: | 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C20 H15 F N4 O4 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O)c1ccccc1F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0373 |
| logD: | 2.9984 |
| logSw: | -3.4947 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.447 |
| InChI Key: | MASKKUSNHWSDNX-OAHLLOKOSA-N |