6-methyl 3-{2-[(propan-2-yl)oxy]ethyl} 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
6-methyl 3-{2-[(propan-2-yl)oxy]ethyl} 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
6-methyl 3-{2-[(propan-2-yl)oxy]ethyl} 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0410 |
| Compound Name: | 6-methyl 3-{2-[(propan-2-yl)oxy]ethyl} 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C25 H30 N2 O8 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OCCOC(C)C)c2cccc(c2)[N+]([O-])=O)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1008 |
| logD: | -0.7332 |
| logSw: | -3.3203 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.624 |
| InChI Key: | AVOLXWSXHSTXCX-UHFFFAOYSA-N |