AC1LLKU6
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/12740356|benzyl 6-amino-5,7,7-tricyano-8-(3-pyridinyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|(8S,8aR)-6-Amino-5,7,7-tricyano-8-pyridin-3-yl-3,7,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid benzyl ester|(8S,8aR)-benzyl 6-amino-5,7,7-tricyano-8-(pyridin-3-yl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate
| Molecular Formula | C25H20N6O2 |
|---|---|
| Molecular Weight | 436.16476 g/mol |
| LogP | 3.14374 |
| Topological Polar Surface Area | 139.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.16476 |
| Monoisotopic Mass | 436.16476 |
| Heavy Atoms | 33 |
| Complexity | 1233.7877 |
Chemical Identifiers
| CAS Number | 494792-18-6 |
|---|---|
| SMILES | C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CN=CC=C4 |
Product Overview
AC1LLKU6 (CAS 494792-18-6), with molecular formula C25H20N6O2 and molecular weight 436.16476 g/mol. IUPAC: benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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