2-methylpropyl 4-(2,5-dimethylphenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-(2,5-dimethylphenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-methylpropyl 4-(2,5-dimethylphenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | V022-3563 |
| Compound Name: | 2-methylpropyl 4-(2,5-dimethylphenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C26 H30 N2 O5 |
| Smiles: | CC(C)COC(C1C(CC(N(Cc2cccc(c2)[N+]([O-])=O)C=1C)=O)c1cc(C)ccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5809 |
| logD: | 5.5809 |
| logSw: | -5.3841 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.359 |
| InChI Key: | WDKCPHDRPIIBNY-QHCPKHFHSA-N |