AC1O40FO
(8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: AM-807/12740139|6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|(8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|(8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|(8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-isopropyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C26H31N5O2 |
|---|---|
| Molecular Weight | 445.24777 g/mol |
| LogP | 4.00784 |
| Topological Polar Surface Area | 119.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.24777 |
| Monoisotopic Mass | 445.24777 |
| Heavy Atoms | 33 |
| Complexity | 1069.3702 |
Chemical Identifiers
| CAS Number | 494792-13-1 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C)OCC |
Product Overview
AC1O40FO (CAS 494792-13-1), with molecular formula C26H31N5O2 and molecular weight 445.24777 g/mol. IUPAC: (8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
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