AC1LPOA9 structure

AC1LPOA9

(7Z)-3-(3-nitrophenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

Also Known As: (7Z)-3-(3-nitrophenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one|(Z)-3-(3-nitrophenyl)-7-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one|(7Z)-3-(3-nitrophenyl)-7-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one|3-(3-nitrophenyl)-7-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one

CAS: 690688-68-7
Molecular Formula C21H20N4O6S
Molecular Weight 456.11035 g/mol
LogP 1.7274
Topological Polar Surface Area 108.43 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 9
Rotatable Bonds 6
Exact Mass 456.11035
Monoisotopic Mass 456.11035
Heavy Atoms 32
Complexity 1338.3351

Chemical Identifiers

CAS Number 690688-68-7
SMILES COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N3CN(CN=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

Product Overview

AC1LPOA9 (CAS 690688-68-7), with molecular formula C21H20N4O6S and molecular weight 456.11035 g/mol. IUPAC: (7Z)-3-(3-nitrophenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

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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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