ethyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y509-0226 |
| Compound Name: | ethyl 4-{5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 487.96 |
| Molecular Formula: | C26 H27 Cl F N O5 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(COc2ccc(cc2[Cl])F)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4424 |
| logD: | 1.0028 |
| logSw: | -5.9258 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.831 |
| InChI Key: | QPFPICDZFAXFIP-DEOSSOPVSA-N |