5-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
5-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4155-0009 |
| Compound Name: | 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 299.28 |
| Molecular Formula: | C15 H13 N3 O4 |
| Smiles: | CC1=C(C(C(C#N)C(N1)=O)c1cccc(c1)[N+]([O-])=O)C(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9768 |
| logD: | 0.5985 |
| logSw: | -2.227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.76 |
| InChI Key: | VCNQQNJFPTUNOB-UHFFFAOYSA-N |