AC1N9G1L structure

AC1N9G1L

N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide

Also Known As: F0507-3756|N-((5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-2-(trifluoromethyl)benzamide|N-{[4-phenyl-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide|N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide|N-({5-[(N-1,3-thiazol-2-ylcarbamoyl)methylthio]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)o-(trifluoromethyl)benzamide

CAS: 391933-83-8
Molecular Formula C22H17F3N6O2S2
Molecular Weight 518.0806 g/mol
LogP 4.4034
Topological Polar Surface Area 101.8 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 518.0806
Monoisotopic Mass 518.0806
Heavy Atoms 35
Complexity 1310.4896

Chemical Identifiers

CAS Number 391933-83-8
SMILES C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=CC=C4C(F)(F)F

Product Overview

AC1N9G1L (CAS 391933-83-8), with molecular formula C22H17F3N6O2S2 and molecular weight 518.0806 g/mol. IUPAC: N-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide.

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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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