3-phenylpropyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
3-phenylpropyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
3-phenylpropyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8011-5535 |
| Compound Name: | 3-phenylpropyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1cccc(c1)[N+]([O-])=O)C(=O)OCCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0434 |
| logD: | 3.1034 |
| logSw: | -4.2035 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.597 |
| InChI Key: | UHTBERSCUHNNPQ-IBGZPJMESA-N |