methyl 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
methyl 4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 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: | Y501-9224 |
Compound Name: | methyl 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: | 528.42 |
Molecular Formula: | C27 H27 Br F N O4 |
Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(ccc1OCc1cccc(c1)F)[Br])C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 6.2464 |
logD: | 1.9592 |
logSw: | -5.6065 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.409 |
InChI Key: | XGEYUAFDWGSXEH-DEOSSOPVSA-N |