dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 8014-3767 |
| Compound Name: | dimethyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 414.41 |
| Molecular Formula: | C21 H22 N2 O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC)c2ccc(cc2)[N+]([O-])=O)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8018 |
| logD: | -1.0322 |
| logSw: | -3.3574 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.549 |
| InChI Key: | WLKANZQYJCAZSY-UHFFFAOYSA-N |