3-ethyl 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-ethyl 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-ethyl 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0069 |
| Compound Name: | 3-ethyl 6-methyl 2,7-dimethyl-4-(4-methyl-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: | CCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7102 |
| logD: | -0.1239 |
| logSw: | -4.0463 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.828 |
| InChI Key: | SPZWUCJBIAZJLF-UHFFFAOYSA-N |