AC1LR3HO
benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/14146104|benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|benzyl 6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|(8R,8aR)-benzyl 6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C26H19F2N5O2 |
|---|---|
| Molecular Weight | 471.1507 g/mol |
| LogP | 4.02694 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.1507 |
| Monoisotopic Mass | 471.1507 |
| Heavy Atoms | 35 |
| Complexity | 1350.8365 |
Chemical Identifiers
| CAS Number | 494792-85-7 |
|---|---|
| SMILES | C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=C(C=C(C=C4)F)F |
Product Overview
AC1LR3HO (CAS 494792-85-7), with molecular formula C26H19F2N5O2 and molecular weight 471.1507 g/mol. IUPAC: benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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