AC1MSP76
ethyl 4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: AK-968/41024439|ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|ethyl 4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|ethyl 4-(4-methoxy-3-((3-(trifluoromethyl)phenoxy)methyl)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C30H32F3NO5 |
|---|---|
| Molecular Weight | 543.22327 g/mol |
| LogP | 6.4601 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.22327 |
| Monoisotopic Mass | 543.22327 |
| Heavy Atoms | 39 |
| Complexity | 1356.6067 |
Chemical Identifiers
| CAS Number | 445236-72-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=CC(=C4)C(F)(F)F)C(=O)CC(C2)(C)C)C |
Product Overview
AC1MSP76 (CAS 445236-72-6), with molecular formula C30H32F3NO5 and molecular weight 543.22327 g/mol. IUPAC: ethyl 4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.