AC1LLKZC
(8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|AM-807/12427174|(8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|(8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C20H17Cl2N5 |
|---|---|
| Molecular Weight | 397.0861 g/mol |
| LogP | 3.73864 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.0861 |
| Monoisotopic Mass | 397.0861 |
| Heavy Atoms | 27 |
| Complexity | 959.55695 |
Chemical Identifiers
| CAS Number | 494792-00-6 |
|---|---|
| SMILES | CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Cl)Cl |
Product Overview
AC1LLKZC (CAS 494792-00-6), with molecular formula C20H17Cl2N5 and molecular weight 397.0861 g/mol. IUPAC: (8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
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