AC1N9D6F structure

AC1N9D6F

N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide

Also Known As: F0721-0972|N-{[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide|N-(4-fluorophenyl)-2-((4-(2-methoxyphenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide|N-{[4-(o-methoxyphenyl)-5-[(N-p-fluorophenylcarbamoyl)methylthio]-4H-1,2,4-triazol-3-yl]methyl}phenoxyacetamide

CAS: 394214-89-2
Molecular Formula C26H24FN5O4S
Molecular Weight 521.1533 g/mol
LogP 3.841
Topological Polar Surface Area 107.37 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 11
Exact Mass 521.1533
Monoisotopic Mass 521.1533
Heavy Atoms 37
Complexity 1348.8514

Chemical Identifiers

CAS Number 394214-89-2
SMILES COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)F)CNC(=O)COC4=CC=CC=C4

Product Overview

AC1N9D6F (CAS 394214-89-2), with molecular formula C26H24FN5O4S and molecular weight 521.1533 g/mol. IUPAC: N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.

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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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