AC1LYXD0 structure

AC1LYXD0

ethyl 4-[(7Z)-7-(5-chloro-2-oxo-1H-indol-3-ylidene)-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-(5-chloro-2-oxoindolin-3-ylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate|ethyl 4-[(7Z)-7-(5-chloro-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]benzoate|ethyl 4-[(7Z)-7-(5-chloro-2-oxo-1H-indol-3-ylidene)-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate

CAS: 840468-96-4
Molecular Formula C22H17ClN4O4S
Molecular Weight 468.06592 g/mol
LogP 1.9458
Topological Polar Surface Area 93.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 3
Exact Mass 468.06592
Monoisotopic Mass 468.06592
Heavy Atoms 32
Complexity 1442.0394

Chemical Identifiers

CAS Number 840468-96-4
SMILES CCOC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/4\C5=C(C=CC(=C5)Cl)NC4=O)/S3

Product Overview

AC1LYXD0 (CAS 840468-96-4), with molecular formula C22H17ClN4O4S and molecular weight 468.06592 g/mol. IUPAC: ethyl 4-[(7Z)-7-(5-chloro-2-oxo-1H-indol-3-ylidene)-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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