AC1LLKYI
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/12740431|(8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate|ethyl 6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
| Molecular Formula | C21H19N5O3 |
|---|---|
| Molecular Weight | 389.1488 g/mol |
| LogP | 2.27404 |
| Topological Polar Surface Area | 147.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.1488 |
| Monoisotopic Mass | 389.1488 |
| Heavy Atoms | 29 |
| Complexity | 1023.6219 |
Chemical Identifiers
| CAS Number | 459147-50-3 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)O |
Product Overview
AC1LLKYI (CAS 459147-50-3), with molecular formula C21H19N5O3 and molecular weight 389.1488 g/mol. IUPAC: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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