methyl 4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3826-1314 |
| Compound Name: | methyl 4-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C28 H30 N2 O7 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)OC)OCc1ccc(cc1)[N+]([O-])=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5055 |
| logD: | 0.2184 |
| logSw: | -4.7357 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.421 |
| InChI Key: | RIAVRDWCKBZWMS-VWLOTQADSA-N |