AC1O40FO structure

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

CAS: 494792-13-1
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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