diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | Y509-0888 |
| Compound Name: | diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 640.69 |
| Molecular Formula: | C36 H36 N2 O9 |
| Smiles: | CCOC(C1C(CC2=C(C(C(=C(C)N2)C(=O)OCC)c2ccc(c(COc3ccccc3[N+]([O-])=O)c2)OC)C1=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0473 |
| logD: | 1.8245 |
| logSw: | -5.3393 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.081 |
| InChI Key: | YIVKNYGSDRLGHB-UHFFFAOYSA-N |