methyl 4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6823 |
| Compound Name: | methyl 4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 510.97 |
| Molecular Formula: | C27 H27 Cl N2 O6 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)OCc1ccc(cc1)[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1813 |
| logD: | 0.8942 |
| logSw: | -5.8231 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.49 |
| InChI Key: | UJMKPNOLGTXDQS-DEOSSOPVSA-N |