AC1LU0W6 structure

AC1LU0W6

N-(2-bromo-4,6-difluorophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(2-bromo-4,6-difluorophenyl)-2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(2-bromo-4,6-difluorophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(2-bromo-4,6-difluorophenyl)-2-[4-(4-ethoxyphenyl)-5-(3-pyridyl)(1,2,4-triaz ol-3-ylthio)]acetamide|N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

CAS: 613227-28-4
Molecular Formula C23H18BrF2N5O2S
Molecular Weight 545.03326 g/mol
LogP 5.4995
Topological Polar Surface Area 81.93 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 545.03326
Monoisotopic Mass 545.03326
Heavy Atoms 34
Complexity 1279.7208

Chemical Identifiers

CAS Number 613227-28-4
SMILES CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3Br)F)F)C4=CN=CC=C4

Product Overview

AC1LU0W6 (CAS 613227-28-4), with molecular formula C23H18BrF2N5O2S and molecular weight 545.03326 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

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