AC1NSNYY structure

AC1NSNYY

ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Also Known As: BAS 00778613|AG-690/11665264|SR-01000409264-1|F1502-0057|ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(E)-ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2E)-2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-[(4-chlorophenyl)methylene]-7-methyl-3-oxo-5-(2-thienyl)-4,5-dihydro-1 ,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate

CAS: 306309-84-2
Molecular Formula C21H17ClN2O3S2
Molecular Weight 444.03693 g/mol
LogP 3.5132
Topological Polar Surface Area 60.66 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 444.03693
Monoisotopic Mass 444.03693
Heavy Atoms 29
Complexity 1268.9207

Chemical Identifiers

CAS Number 306309-84-2
SMILES CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S2)C

Product Overview

AC1NSNYY (CAS 306309-84-2), with molecular formula C21H17ClN2O3S2 and molecular weight 444.03693 g/mol. IUPAC: ethyl (2E)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-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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