AC1LXQM3 structure

AC1LXQM3

ethyl 2-[[(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate

Also Known As: (Z)-ethyl 2-((2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-2-cyanovinyl)amino)benzoate|ethyl 2-({(Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate|ethyl 2-[[(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate|Ethyl 2-[[2-[4-(6-bromo-2-oxo-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate

CAS: 477296-56-3
Molecular Formula C24H16BrN3O4S
Molecular Weight 521.0045 g/mol
LogP 5.83228
Topological Polar Surface Area 105.22 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 521.0045
Monoisotopic Mass 521.0045
Heavy Atoms 33
Complexity 1483.0887

Chemical Identifiers

CAS Number 477296-56-3
SMILES CCOC(=O)C1=CC=CC=C1N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Product Overview

AC1LXQM3 (CAS 477296-56-3), with molecular formula C24H16BrN3O4S and molecular weight 521.0045 g/mol. IUPAC: ethyl 2-[[(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate.

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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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