3-ethyl 6-methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-ethyl 6-methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-ethyl 6-methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C119-0009 |
| Compound Name: | 3-ethyl 6-methyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 474.47 |
| Molecular Formula: | C23 H26 N2 O9 |
| Smiles: | CCOC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1cc(c(c(c1)OC)O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9067 |
| logD: | -0.9273 |
| logSw: | -3.4268 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.938 |
| InChI Key: | IRBCUSYAIJAGSZ-UHFFFAOYSA-N |