AC1M0KY9 structure

AC1M0KY9

3-[(7Z)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoic acid

Also Known As: SR-01000147860-1|(Z)-3-(7-(5-methyl-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoic acid|3-[(7Z)-7-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid|3-[(7Z)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoic acid|3-{7-[(3Z)-5-METHYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]-6-OXO-2H,3H,4H,6H,7H-[1,3]THIAZOLO[3,2-A][1,3,5]TRIAZIN-3-YL}BENZOIC ACID

CAS: 896804-32-3
Molecular Formula C21H16N4O4S
Molecular Weight 420.08923 g/mol
LogP 1.12232
Topological Polar Surface Area 104.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 420.08923
Monoisotopic Mass 420.08923
Heavy Atoms 30
Complexity 1419.4885

Chemical Identifiers

CAS Number 896804-32-3
SMILES CC1=CC\2=C(C=C1)NC(=O)/C2=C\3/C(=O)N4CN(CN=C4S3)C5=CC=CC(=C5)C(=O)O

Product Overview

AC1M0KY9 (CAS 896804-32-3), with molecular formula C21H16N4O4S and molecular weight 420.08923 g/mol. IUPAC: 3-[(7Z)-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoic acid.

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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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