methyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9799 |
| Compound Name: | methyl 4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 513.99 |
| Molecular Formula: | C28 H29 Cl F N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(COc2ccc(cc2[Cl])F)c1)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2589 |
| logD: | 0.9717 |
| logSw: | -5.9575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.04 |
| InChI Key: | DFKQANPMKPDSLF-VWLOTQADSA-N |