AC1MKFM2

6-amino-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Also Known As: Oprea1_645301|BAS 07417874|6-amino-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|AK-777/11501070|6-amino-2-ethyl-8-(3-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|6-amino-2-ethyl-8-(3-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile|6-amino-2-ethyl-8-(3-fluorophenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tr icarbonitrile

Molecular Formula	C20H18FN5
Molecular Weight	347.15463 g/mol
LogP	2.57094
Topological Polar Surface Area	100.63 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	347.15463
Monoisotopic Mass	347.15463
Heavy Atoms	26
Complexity	910.74554

Chemical Identifiers

CAS Number	369603-59-8
SMILES	CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)F