3-benzyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-benzyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-benzyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0366 |
| Compound Name: | 3-benzyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 490.51 |
| Molecular Formula: | C27 H26 N2 O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OCc2ccccc2)c2cccc(c2)[N+]([O-])=O)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2551 |
| logD: | 0.6785 |
| logSw: | -4.574 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.233 |
| InChI Key: | CFDURMWOGXLHBU-UHFFFAOYSA-N |