AC1MGYW2

2-[3-(4-tert-butylphenyl)sulfinyl-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile

Also Known As: CBKinase1_003637|CBKinase1_016037|Oprea1_511326|BRD-A44278248-001-01-7|2-[3-(4-tert-butylphenyl)sulfinyl-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile|2-((3-((4-(tert-butyl)phenyl)sulfinyl)-2-hydroxypropyl)thio)-4,6-dimethylnicotinonitrile|2-({3-[(4-tert-butylphenyl)sulfinyl]-2-hydroxypropyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile

Molecular Formula	C21H26N2O2S2
Molecular Weight	402.1436 g/mol
LogP	4.12842
Topological Polar Surface Area	73.98 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	402.1436
Monoisotopic Mass	402.1436
Heavy Atoms	27
Complexity	865.47595

Chemical Identifiers

CAS Number	459147-69-4
SMILES	CC1=CC(=NC(=C1C#N)SCC(CS(=O)C2=CC=C(C=C2)C(C)(C)C)O)C