AC1LR5BG
benzyl (8S,8aR)-6-amino-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/13104373|benzyl 6-amino-8-(4-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|benzyl (8S,8aR)-6-amino-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|(8S,8aR)-benzyl 6-amino-8-(4-bromophenyl)-5,7,7-tricyano-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate
| Molecular Formula | C26H20BrN5O2 |
|---|---|
| Molecular Weight | 513.08 g/mol |
| LogP | 4.51124 |
| Topological Polar Surface Area | 126.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 513.08 |
| Monoisotopic Mass | 513.08 |
| Heavy Atoms | 34 |
| Complexity | 1281.9318 |
Chemical Identifiers
| CAS Number | 494792-42-6 |
|---|---|
| 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)Br |
Product Overview
AC1LR5BG (CAS 494792-42-6), with molecular formula C26H20BrN5O2 and molecular weight 513.08 g/mol. IUPAC: benzyl (8S,8aR)-6-amino-8-(4-bromophenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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