AC1NQ49Y
2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: AK-968/41024437|2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile|2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile|2-AMINO-3,3-DICYANO-4-(4-METHOXY-3-{[3-(TRIFLUOROMETHYL)PHENOXY]METHYL}PHENYL)-4A,5,6,7-TETRAHYDRO-1(4H)-NAPHTHALENYL CYANIDE|2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
| Molecular Formula | C28H23F3N4O2 |
|---|---|
| Molecular Weight | 504.1773 g/mol |
| LogP | 5.88664 |
| Topological Polar Surface Area | 115.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.1773 |
| Monoisotopic Mass | 504.1773 |
| Heavy Atoms | 37 |
| Complexity | 1392.2166 |
Chemical Identifiers
| CAS Number | 445236-71-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)COC4=CC=CC(=C4)C(F)(F)F |
Product Overview
AC1NQ49Y (CAS 445236-71-5), with molecular formula C28H23F3N4O2 and molecular weight 504.1773 g/mol. IUPAC: 2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.