AC1NSYB4 structure

AC1NSYB4

ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Also Known As: HMS590H08|BAS 00756131|BIM-0026864.P001|AH-487/11603022|SR-01000411928-1|ETHYL (2Z)-2-[(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-5-(3,4-DIMETHOXYPHENYL)-7-METHYL-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE|ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-(3-bromo-4-hydroxy-5-methoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(Z)-ethyl 2-(3-bromo-4-hydroxy-5-methoxybenzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate

CAS: 313400-95-2
Molecular Formula C26H25BrN2O7S
Molecular Weight 588.0566 g/mol
LogP 3.2922
Topological Polar Surface Area 108.58 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 7
Exact Mass 588.0566
Monoisotopic Mass 588.0566
Heavy Atoms 37
Complexity 1589.3048

Chemical Identifiers

CAS Number 313400-95-2
SMILES CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)/C(=C/C4=CC(=C(C(=C4)Br)O)OC)/S2)C

Product Overview

AC1NSYB4 (CAS 313400-95-2), with molecular formula C26H25BrN2O7S and molecular weight 588.0566 g/mol. IUPAC: ethyl (2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-(3,4-dimethoxyphenyl)-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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