methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 4223-6872 |
| Compound Name: | methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C26 H26 N2 O7 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)N1)c1cccc(c1)[N+]([O-])=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.942 |
| logD: | -0.5383 |
| logSw: | -4.1201 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.466 |
| InChI Key: | CHAOEBNJENHQLX-UHFFFAOYSA-N |