AC1LXS9B structure

AC1LXS9B

(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile

Also Known As: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile|(Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile|(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile

CAS: 477298-96-7
Molecular Formula C22H11BrF3N3O2S
Molecular Weight 516.97076 g/mol
LogP 6.67438
Topological Polar Surface Area 78.92 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 516.97076
Monoisotopic Mass 516.97076
Heavy Atoms 32
Complexity 1451.3163

Chemical Identifiers

CAS Number 477298-96-7
SMILES C1=CC=C(C(=C1)C(F)(F)F)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Product Overview

AC1LXS9B (CAS 477298-96-7), with molecular formula C22H11BrF3N3O2S and molecular weight 516.97076 g/mol. IUPAC: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile.

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