AC1NT2TX structure

AC1NT2TX

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

Also Known As: ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 5-(2,5-dimethoxyphenyl)-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|Ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

CAS: 5818-88-2
Molecular Formula C32H33N3O5S
Molecular Weight 571.2141 g/mol
LogP 4.53146
Topological Polar Surface Area 84.05 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 571.2141
Monoisotopic Mass 571.2141
Heavy Atoms 41
Complexity 1858.3208

Chemical Identifiers

CAS Number 5818-88-2
SMILES CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)/C(=C\C4=C(N(C(=C4)C)C5=CC=C(C=C5)C)C)/S2)C

Product Overview

AC1NT2TX (CAS 5818-88-2), with molecular formula C32H33N3O5S and molecular weight 571.2141 g/mol. IUPAC: ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-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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