AC1LR5ZU
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/13104039|(8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate|ethyl 6-amino-5,7,7-tricyano-8-(4-methoxy-1-naphthyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
| Molecular Formula | C26H23N5O3 |
|---|---|
| Molecular Weight | 453.18008 g/mol |
| LogP | 3.73024 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.18008 |
| Monoisotopic Mass | 453.18008 |
| Heavy Atoms | 34 |
| Complexity | 1341.2189 |
Chemical Identifiers
| CAS Number | 494792-35-7 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC |
Product Overview
AC1LR5ZU (CAS 494792-35-7), with molecular formula C26H23N5O3 and molecular weight 453.18008 g/mol. IUPAC: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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