AC1LD2BN
ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AK-777/11656238|ethyl 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|SR-01000599507-2|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|(8R,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C23H23N5O3 |
|---|---|
| Molecular Weight | 417.18008 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.18008 |
| Monoisotopic Mass | 417.18008 |
| Heavy Atoms | 31 |
| Complexity | 924.0 |
Chemical Identifiers
| CAS Number | 459150-56-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC |
| InChIKey | ZNFNTFBRASLXIW-AZUAARDMSA-N |
Product Overview
AC1LD2BN (CAS 459150-56-2), with molecular formula C23H23N5O3 and molecular weight 417.18008 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
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