AC1O75FX
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(trifluoromethoxy)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/14146106|(8S,8aR)-benzyl 6-amino-5,7,7-tricyano-8-(4-(trifluoromethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(trifluoromethoxy)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(trifluoromethoxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate|benzyl 6-amino-5,7,7-tricyano-8-[4-(trifluoromethoxy)phenyl]-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
| Molecular Formula | C27H20F3N5O3 |
|---|---|
| Molecular Weight | 519.1518 g/mol |
| LogP | 4.64734 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.1518 |
| Monoisotopic Mass | 519.1518 |
| Heavy Atoms | 38 |
| Complexity | 1399.5742 |
Chemical Identifiers
| CAS Number | 494792-87-9 |
|---|---|
| SMILES | C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)OC(F)(F)F |
Product Overview
AC1O75FX (CAS 494792-87-9), with molecular formula C27H20F3N5O3 and molecular weight 519.1518 g/mol. IUPAC: benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(trifluoromethoxy)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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