AC1NXAE4 structure

AC1NXAE4

ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Also Known As: AM-879/37118003|ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(Z)-ethyl 2-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-[(6-bromo(2H-benzo[d]1,3-dioxolen-5-yl))methylene]-5-(2-chlorophenyl)- 7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate|ethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-(2-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

CAS: 354561-86-7
Molecular Formula C24H18BrClN2O5S
Molecular Weight 559.98083 g/mol
LogP 3.9429
Topological Polar Surface Area 79.12 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 4
Exact Mass 559.98083
Monoisotopic Mass 559.98083
Heavy Atoms 34
Complexity 1541.6105

Chemical Identifiers

CAS Number 354561-86-7
SMILES CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C/C4=CC5=C(C=C4Br)OCO5)/S2)C

Product Overview

AC1NXAE4 (CAS 354561-86-7), with molecular formula C24H18BrClN2O5S and molecular weight 559.98083 g/mol. IUPAC: ethyl (2Z)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

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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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