AC1LJROZ

[6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Also Known As: KS-00003RRV|SS-0276|BAS 06901368|AM-807/41624102|(3-Amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone|[6-Amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone|5-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,5,7-tetraen-6-amine|[3-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl][3,4-dihydro-2(1H)-isoquinolin|2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-3-ylamine|[3-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone|[3-amino-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl][3,4-dihydro-2(1H)-isoquinolinyl]methanone|3-amino-4-(trifluoromethyl)(5,6,7,8,9-pentahydrocyclohepta[2,1-e]thiopheno[2,3 -b]pyridin-2-yl) 2-1,2,3,4-tetrahydroisoquinolyl ketone

Molecular Formula	C23H22F3N3OS
Molecular Weight	445.14355 g/mol
LogP	5.3647
Topological Polar Surface Area	59.22 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	445.14355
Monoisotopic Mass	445.14355
Heavy Atoms	31
Complexity	1185.0039

Chemical Identifiers

CAS Number	626221-75-8
SMILES	C1CCC2=C(CC1)N=C3C(=C2C(F)(F)F)C(=C(S3)C(=O)N4CCC5=CC=CC=C5C4)N