6-methyl 3-(propan-2-yl) 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
6-methyl 3-(propan-2-yl) 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
6-methyl 3-(propan-2-yl) 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0323 |
| Compound Name: | 6-methyl 3-(propan-2-yl) 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C23 H26 N2 O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC(C)C)c2cccc(c2)[N+]([O-])=O)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6267 |
| logD: | -0.2073 |
| logSw: | -3.8868 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.808 |
| InChI Key: | BBITWUKVYYEZGN-UHFFFAOYSA-N |