3-(butan-2-yl) 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-(butan-2-yl) 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-(butan-2-yl) 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0118 |
| Compound Name: | 3-(butan-2-yl) 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C24 H28 N2 O7 |
| Smiles: | CCC(C)OC(C1C(C2=C(CC(C)C(C2=O)C(=O)OC)NC=1C)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4225 |
| logD: | 0.5885 |
| logSw: | -4.2933 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.39 |
| InChI Key: | YKUNGWPTQJSVOV-UHFFFAOYSA-N |