6-methyl 3-(propan-2-yl) 4-(4-chloro-3-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-chloro-3-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
6-methyl 3-(propan-2-yl) 4-(4-chloro-3-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0221 |
| Compound Name: | 6-methyl 3-(propan-2-yl) 4-(4-chloro-3-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 476.91 |
| Molecular Formula: | C23 H25 Cl N2 O7 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC(C)C)c2ccc(c(c2)[N+]([O-])=O)[Cl])C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0225 |
| logD: | 0.1885 |
| logSw: | -4.5534 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.507 |
| InChI Key: | LNFJWNBQGAWCKO-UHFFFAOYSA-N |