CBKinase1_008990 structure

CBKinase1_008990

2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

Also Known As: CBKinase1_008990|CBKinase1_021390|BRD-K44203901-001-01-1|N-(biphenyl-2-yl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|2-(4-methyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide|2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide|N-([1,1'-biphenyl]-2-yl)-2-((4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide

CAS: 577696-44-7
Molecular Formula C22H19N5OS
Molecular Weight 401.13104 g/mol
LogP 4.2749
Topological Polar Surface Area 72.7 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 401.13104
Monoisotopic Mass 401.13104
Heavy Atoms 29
Complexity 1112.528

Chemical Identifiers

CAS Number 577696-44-7
SMILES CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=CC=CC=N4

Product Overview

CBKinase1_008990 (CAS 577696-44-7), with molecular formula C22H19N5OS and molecular weight 401.13104 g/mol. IUPAC: 2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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