AC1LCH58

3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Also Known As: Oprea1_248427|Oprea1_753670|BAS 00288825|NCGC00315274-01|AB01310128-01|AG-690/08754024|SR-01000470373-1|3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|3-[(2-methylpropyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|3-(2-methylpropylthio)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbo nitrile|3-(Isobutylsulfanyl)-1-(4-morpholinyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile|3-(Isobutylsulfanyl)-1-(4-morpholinyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile #|3-(isobutylthio)-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile|3-Isobutylsulfanyl-1-morpholin-4-yl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile

Molecular Formula	C18H25N3OS
Molecular Weight	331.17184 g/mol
LogP	4.2
Topological Polar Surface Area	74.5 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	331.17184
Monoisotopic Mass	331.17184
Heavy Atoms	23
Complexity	429.0

Chemical Identifiers

CAS Number	306293-62-9
SMILES	CC(C)CSC1=C(C2=C(CCCC2)C(=N1)N3CCOCC3)C#N
InChIKey	QSKAUCNYRLUPRN-UHFFFAOYSA-N