6-methyl 3-(propan-2-yl) 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
6-methyl 3-(propan-2-yl) 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
6-methyl 3-(propan-2-yl) 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0404 |
| Compound Name: | 6-methyl 3-(propan-2-yl) 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 488.49 |
| Molecular Formula: | C24 H28 N2 O9 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC(C)C)c2cc(c(c(c2)OC)O)[N+]([O-])=O)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3521 |
| logD: | -0.4819 |
| logSw: | -3.7536 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.617 |
| InChI Key: | XZSIBNOTUHHFOF-UHFFFAOYSA-N |