benzyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1461 |
| Compound Name: | benzyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C24 H22 N2 O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2185 |
| logD: | 0.5802 |
| logSw: | -4.6391 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.16 |
| InChI Key: | CDVUGSZHAPPUFJ-QFIPXVFZSA-N |