3-cyclohexyl 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-cyclohexyl 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-cyclohexyl 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0038 |
| Compound Name: | 3-cyclohexyl 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C26 H30 N2 O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC2CCCCC2)c2ccccc2[N+]([O-])=O)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7724 |
| logD: | 0.9384 |
| logSw: | -4.4673 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.158 |
| InChI Key: | AHIZSWADHYMTBD-UHFFFAOYSA-N |