AC1OBHIX structure

AC1OBHIX

2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

Also Known As: 2-((4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide|F0653-0838|2-{[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide|2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide|2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

CAS: 852167-69-2
Molecular Formula C21H15FN6OS2
Molecular Weight 450.07327 g/mol
LogP 4.742
Topological Polar Surface Area 88.49 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 450.07327
Monoisotopic Mass 450.07327
Heavy Atoms 31
Complexity 1344.248

Chemical Identifiers

CAS Number 852167-69-2
SMILES C1=CC=C2C(=C1)C(=CN2)C3=NN=C(N3C4=CC=C(C=C4)F)SCC(=O)NC5=NC=CS5

Product Overview

AC1OBHIX (CAS 852167-69-2), with molecular formula C21H15FN6OS2 and molecular weight 450.07327 g/mol. IUPAC: 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)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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