ethyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6697 |
| Compound Name: | ethyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 565.54 |
| Molecular Formula: | C29 H28 F5 N O5 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(c(COc2c(c(c(c(c2F)F)F)F)F)c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0248 |
| logD: | 1.7377 |
| logSw: | -5.5705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.706 |
| InChI Key: | QCGPJDJUBULEND-FQEVSTJZSA-N |