ethyl 4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9226 |
| Compound Name: | ethyl 4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 542.45 |
| Molecular Formula: | C28 H29 Br F N O4 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cc(ccc1OCc1cccc(c1)F)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6869 |
| logD: | 2.3998 |
| logSw: | -5.7736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.989 |
| InChI Key: | GPAWBMXIYJMXBG-VWLOTQADSA-N |