AC1LLKXO
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: SS-0738|BAS 06899791|AM-807/12740428|ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-2-carboxylate|ethyl 6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|(8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl(8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-2-carboxylate
| Molecular Formula | C23H23N5O4 |
|---|---|
| Molecular Weight | 433.17502 g/mol |
| LogP | 2.58564 |
| Topological Polar Surface Area | 145.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.17502 |
| Monoisotopic Mass | 433.17502 |
| Heavy Atoms | 32 |
| Complexity | 1082.4166 |
Chemical Identifiers
| CAS Number | 494792-25-5 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC(=C3)OC)OC |
Product Overview
AC1LLKXO (CAS 494792-25-5), with molecular formula C23H23N5O4 and molecular weight 433.17502 g/mol. IUPAC: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.