AC1O75FB
(8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: BAS 06899801|6-amino-8-(4-tert-butylphenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|AM-807/14146047|(8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|(8S,8aR)-6-amino-8-(4-(tert-butyl)phenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|(8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C24H27N5 |
|---|---|
| Molecular Weight | 385.22665 g/mol |
| LogP | 3.72934 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.22665 |
| Monoisotopic Mass | 385.22665 |
| Heavy Atoms | 29 |
| Complexity | 972.1724 |
Chemical Identifiers
| CAS Number | 459147-77-4 |
|---|---|
| SMILES | CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
AC1O75FB (CAS 459147-77-4), with molecular formula C24H27N5 and molecular weight 385.22665 g/mol. IUPAC: (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
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