3-cycloheptyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-cycloheptyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-cycloheptyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0050 |
| Compound Name: | 3-cycloheptyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C27 H32 N2 O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC2CCCCCC2)c2cccc(c2)[N+]([O-])=O)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2347 |
| logD: | 1.4007 |
| logSw: | -5.0168 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.79 |
| InChI Key: | XPNVYAOLPOXRMS-UHFFFAOYSA-N |