AC1LQV9S
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/12740388|(8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(2-methoxynaphthalen-1-yl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-methoxynaphthalen-1-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate|ethyl 6-amino-5,7,7-tricyano-8-(2-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 | 459147-91-2 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC4=CC=CC=C43)OC |
Product Overview
AC1LQV9S (CAS 459147-91-2), with molecular formula C26H23N5O3 and molecular weight 453.18008 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-methoxynaphthalen-1-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.