diethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
diethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | 4404-0097 |
| Compound Name: | diethyl 4-(2H-1,3-benzodioxol-5-yl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 533.58 |
| Molecular Formula: | C30 H31 N O8 |
| Smiles: | CCOC(C1C(CC2=C(C(C(=C(C)N2)C(=O)OCC)c2ccc3c(c2)OCO3)C1=O)c1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9951 |
| logD: | 0.7723 |
| logSw: | -4.6245 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.801 |
| InChI Key: | PXGYIFCOHUCIAZ-UHFFFAOYSA-N |