AC1NYKL7 structure

AC1NYKL7

ethyl (2Z)-2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Also Known As: AK-968/41024878|ethyl (2Z)-2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-({5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}methylene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(Z)-ethyl 2-((5-((2-chloro-4-fluorophenoxy)methyl)furan-2-yl)methylene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2Z)-2-({5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ETHYL 2-((Z)-1-{5-[(2-CHLORO-4-FLUOROPHENOXY)METHYL]-2-FURYL}METHYLIDENE)-7-METHYL-3-OXO-5-PHENYL-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6(3H)-CARBOXYLATE

CAS: 445239-31-6
Molecular Formula C28H22ClFN2O5S
Molecular Weight 552.0922 g/mol
LogP 4.7628
Topological Polar Surface Area 83.03 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 552.0922
Monoisotopic Mass 552.0922
Heavy Atoms 38
Complexity 1721.6842

Chemical Identifiers

CAS Number 445239-31-6
SMILES CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C/C4=CC=C(O4)COC5=C(C=C(C=C5)F)Cl)/S2)C

Product Overview

AC1NYKL7 (CAS 445239-31-6), with molecular formula C28H22ClFN2O5S and molecular weight 552.0922 g/mol. IUPAC: ethyl (2Z)-2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methylidene]-7-methyl-3-oxo-5-phenyl-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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