AC1LD30K
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/12740032|ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|ethyl 6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|(8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C25H27N5O4 |
|---|---|
| Molecular Weight | 461.2063 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.2063 |
| Monoisotopic Mass | 461.2063 |
| Heavy Atoms | 34 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 494792-03-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OCC |
| InChIKey | NIQAXCHQFHHGOT-SIKLNZKXSA-N |
Product Overview
AC1LD30K (CAS 494792-03-9), with molecular formula C25H27N5O4 and molecular weight 461.2063 g/mol. IUPAC: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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