methyl 4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-2-methyl-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-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9225 |
| Compound Name: | methyl 4-{5-bromo-2-[(3-fluorophenyl)methoxy]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 500.36 |
| Molecular Formula: | C25 H23 Br F N O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(ccc1OCc1cccc(c1)F)[Br])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6409 |
| logD: | 1.7451 |
| logSw: | -5.4595 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.409 |
| InChI Key: | SEMNYMSEZBKILP-QHCPKHFHSA-N |