AC1LYQ2E structure

AC1LYQ2E

(7Z)-3-(4-chlorophenyl)-7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

Also Known As: SR-01000111448-1|(7Z)-3-(4-chlorophenyl)-7-(5-ethoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one|(7Z)-3-(4-chlorophenyl)-7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one|(Z)-3-(4-chlorophenyl)-7-(5-ethoxy-2-oxoindolin-3-ylidene)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one|3-[(7Z)-3-(4-CHLOROPHENYL)-6-OXO-2H,3H,4H,6H,7H-[1,3]THIAZOLO[3,2-A][1,3,5]TRIAZIN-7-YLIDENE]-5-ETHOXY-2,3-DIHYDRO-1H-INDOL-2-ONE

CAS: 836646-99-2
Molecular Formula C21H17ClN4O3S
Molecular Weight 440.07098 g/mol
LogP 2.1678
Topological Polar Surface Area 75.93 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 440.07098
Monoisotopic Mass 440.07098
Heavy Atoms 30
Complexity 1344.0515

Chemical Identifiers

CAS Number 836646-99-2
SMILES CCOC1=CC\2=C(C=C1)NC(=O)/C2=C\3/C(=O)N4CN(CN=C4S3)C5=CC=C(C=C5)Cl

Product Overview

AC1LYQ2E (CAS 836646-99-2), with molecular formula C21H17ClN4O3S and molecular weight 440.07098 g/mol. IUPAC: (7Z)-3-(4-chlorophenyl)-7-(5-ethoxy-2-oxo-1H-indol-3-ylidene)-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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