AC1MGWWJ

2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Also Known As: CBKinase1_003775|CBKinase1_016175|Oprea1_523856|SR-01000489268-1|BRD-A87997288-001-01-1|2-({3-[(4-tert-butylphenyl)sulfonyl]-2-hydroxypropyl}sulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile|2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile|2-((3-((4-(tert-butyl)phenyl)sulfonyl)-2-hydroxypropyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile|2-({3-[(4-tert-butylphenyl)sulfonyl]-2-hydroxypropyl}thio)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile|2-{[3-(4-TERT-BUTYLBENZENESULFONYL)-2-HYDROXYPROPYL]SULFANYL}-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBONITRILE

Molecular Formula	C23H28N2O3S2
Molecular Weight	444.15414 g/mol
LogP	4.05648
Topological Polar Surface Area	91.05 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	444.15414
Monoisotopic Mass	444.15414
Heavy Atoms	30
Complexity	1049.5814

Chemical Identifiers

CAS Number	369402-83-5
SMILES	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(CSC2=C(C=C3CCCCC3=N2)C#N)O