AC1O75CT
(8S,8aR)-6-amino-8-(3-ethoxy-4-propan-2-yloxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: AM-807/12740126|(8S,8aR)-6-amino-8-(3-ethoxy-4-propan-2-yloxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|6-amino-8-(3-ethoxy-4-isopropoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|(8S,8aR)-6-amino-8-(3-ethoxy-4-isopropoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|(8S,8aR)-6-amino-8-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-propyl-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 | 494792-10-8 |
|---|---|
| SMILES | CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OC(C)C)OCC |
Product Overview
AC1O75CT (CAS 494792-10-8), with molecular formula C26H31N5O2 and molecular weight 445.24777 g/mol. IUPAC: (8S,8aR)-6-amino-8-(3-ethoxy-4-propan-2-yloxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
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