3-cyano-4-(4-nitrophenyl)-6-oxo-1-(2-phenylethyl)-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Chemical Structure Depiction of
3-cyano-4-(4-nitrophenyl)-6-oxo-1-(2-phenylethyl)-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
3-cyano-4-(4-nitrophenyl)-6-oxo-1-(2-phenylethyl)-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Compound characteristics
| Compound ID: | 8001-2964 |
| Compound Name: | 3-cyano-4-(4-nitrophenyl)-6-oxo-1-(2-phenylethyl)-5-(pyridin-1-ium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C25 H20 N4 O4 |
| Smiles: | C(CN1C(=C(C#N)C(C(C1=O)[n+]1ccccc1)c1ccc(cc1)[N+]([O-])=O)[O-])c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9805 |
| logD: | 2.9805 |
| logSw: | -3.2883 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.896 |
| InChI Key: | PXADFEKUGQTVRW-UHFFFAOYSA-N |