AC1LLKTL
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: BAS 06899664|AM-807/13104327|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|ethyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|(8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C22H20FN5O3 |
|---|---|
| Molecular Weight | 421.15503 g/mol |
| LogP | 2.71614 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.15503 |
| Monoisotopic Mass | 421.15503 |
| Heavy Atoms | 31 |
| Complexity | 1091.6139 |
Chemical Identifiers
| CAS Number | 459155-69-2 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)F |
Product Overview
AC1LLKTL (CAS 459155-69-2), with molecular formula C22H20FN5O3 and molecular weight 421.15503 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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