ethyl 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
ethyl 4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 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: | Y500-6825 |
| Compound Name: | ethyl 4-{4-[(4-chlorophenyl)methoxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 525 |
| Molecular Formula: | C28 H29 Cl N2 O6 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(c(c1)[N+]([O-])=O)OCc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6218 |
| logD: | 1.3347 |
| logSw: | -6.1183 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.07 |
| InChI Key: | YPRFLVUYLYPXFF-VWLOTQADSA-N |