ethyl 5-cyano-2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
ethyl 5-cyano-2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4155-0109 |
| Compound Name: | ethyl 5-cyano-2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C16 H15 N3 O5 |
| Smiles: | CCOC(C1C(C(C#N)C(NC=1C)=O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6359 |
| logD: | 0.6959 |
| logSw: | -2.316 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.687 |
| InChI Key: | RGRDVGBNPGHMNU-UHFFFAOYSA-N |