AC1LYXHU structure

AC1LYXHU

ethyl 4-[(7Z)-7-[(4-chlorophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate

Also Known As: (Z)-ethyl 4-(7-(4-chlorobenzylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate|ethyl 4-[(7Z)-7-(4-chlorobenzylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoate|ethyl 4-[(7Z)-7-[(4-chlorophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate

CAS: 840469-41-2
Molecular Formula C21H18ClN3O3S
Molecular Weight 427.07574 g/mol
LogP 2.6235
Topological Polar Surface Area 63.9 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 427.07574
Monoisotopic Mass 427.07574
Heavy Atoms 29
Complexity 1214.0426

Chemical Identifiers

CAS Number 840469-41-2
SMILES CCOC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C4=CC=C(C=C4)Cl)/S3

Product Overview

AC1LYXHU (CAS 840469-41-2), with molecular formula C21H18ClN3O3S and molecular weight 427.07574 g/mol. IUPAC: ethyl 4-[(7Z)-7-[(4-chlorophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]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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