methyl 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
methyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 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: | 2191-2832 |
| Compound Name: | methyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 551.51 |
| Molecular Formula: | C28 H26 F5 N O5 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(c(COc2c(c(c(c(c2F)F)F)F)F)c1)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5843 |
| logD: | 1.2971 |
| logSw: | -5.5403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.126 |
| InChI Key: | ZUKDFYCQTQAUMQ-IBGZPJMESA-N |