AC1Q5HQB structure

AC1Q5HQB

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

Also Known As: SR-01000284178-1|N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide|N-1,3-benzodioxol-5-yl-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide|N-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide|N-(1,3-benzodioxol-5-yl)-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide|N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide|N-(1,3-benzodioxol-5-yl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-(4-phenyl-5-(3-pyridyl)(1,2,4-triazol-3 -ylthio))acetamide|N-(benzo[d][1,3]dioxol-5-yl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide

CAS: 825599-30-2
Molecular Formula C22H17N5O3S
Molecular Weight 431.10522 g/mol
LogP 3.7888
Topological Polar Surface Area 91.16 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 431.10522
Monoisotopic Mass 431.10522
Heavy Atoms 31
Complexity 1214.5657

Chemical Identifiers

CAS Number 825599-30-2
SMILES C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Product Overview

AC1Q5HQB (CAS 825599-30-2), with molecular formula C22H17N5O3S and molecular weight 431.10522 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]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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