butan-2-yl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
butan-2-yl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1411 |
| Compound Name: | butan-2-yl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 332.35 |
| Molecular Formula: | C17 H20 N2 O5 |
| Smiles: | CCC(C)OC(C1C(CC(NC=1C)=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1467 |
| logD: | 2.2067 |
| logSw: | -3.2637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.136 |
| InChI Key: | UBSYTORUDLHNLU-UHFFFAOYSA-N |