AC1LXUTP structure

AC1LXUTP

2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate

Also Known As: MLS-0327143.0001|(Z)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate|2-(diethylamino)ethyl 4-({(Z)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate|2-diethylaminoethyl 4-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate

CAS: 799770-72-2
Molecular Formula C28H26N4O4S
Molecular Weight 514.1675 g/mol
LogP 5.39168
Topological Polar Surface Area 108.46 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 10
Exact Mass 514.1675
Monoisotopic Mass 514.1675
Heavy Atoms 37
Complexity 1511.7196

Chemical Identifiers

CAS Number 799770-72-2
SMILES CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Product Overview

AC1LXUTP (CAS 799770-72-2), with molecular formula C28H26N4O4S and molecular weight 514.1675 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]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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