AC1LLKVU
(8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: AK-777/11656252|(8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|6-amino-8-(2,3-dimethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|(8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C21H21N5O2 |
|---|---|
| Molecular Weight | 375.16953 g/mol |
| LogP | 2.05894 |
| Topological Polar Surface Area | 119.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.16953 |
| Monoisotopic Mass | 375.16953 |
| Heavy Atoms | 28 |
| Complexity | 975.51904 |
Chemical Identifiers
| CAS Number | 488783-75-1 |
|---|---|
| SMILES | CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C(=CC=C3)OC)OC |
Product Overview
AC1LLKVU (CAS 488783-75-1), with molecular formula C21H21N5O2 and molecular weight 375.16953 g/mol. IUPAC: (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
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