methyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1834-0027 |
| Compound Name: | methyl 4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C22 H26 N2 O7 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(c(cc1[N+]([O-])=O)OC)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9332 |
| logD: | -1.3539 |
| logSw: | -3.5323 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.437 |
| InChI Key: | HJWMAMDWRAASFM-IBGZPJMESA-N |