methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3754 |
| Compound Name: | methyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 483.97 |
| Molecular Formula: | C27 H27 Cl F N O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(COc2ccc(cc2[Cl])F)c(C)cc1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.78 |
| logD: | 1.8842 |
| logSw: | -5.9669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.409 |
| InChI Key: | WONFWSCRTWEADU-VWLOTQADSA-N |