2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2984-4749 |
| Compound Name: | 2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 582.61 |
| Molecular Formula: | C33 H30 N2 O8 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc(cc2)OC)N1)c1cc2c(cc1[N+]([O-])=O)OCO2)C(=O)OCCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3729 |
| logD: | 1.8926 |
| logSw: | -5.4847 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.166 |
| InChI Key: | GUIXYBMKGOWEGK-UHFFFAOYSA-N |