AC1LUEEI

tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Also Known As: AM-807/12740062|tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate|tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate|(8S,8aR)-tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate|tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Molecular Formula	C28H33N5O4
Molecular Weight	503.25327 g/mol
LogP	4.53454
Topological Polar Surface Area	145.39 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	503.25327
Monoisotopic Mass	503.25327
Heavy Atoms	37
Complexity	1224.983

Chemical Identifiers

CAS Number	459783-73-4
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(=O)OC(C)(C)C)OCC