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

Base Information

• Chemical Name: ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• CAS No.: 5656-94-0
• Molecular Formula: C11H8 O4
• Molecular Weight: 559.5466
• DSSTox Substance ID: DTXSID80417016

Synonyms:5656-94-0;ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate;AC1NSYGR;SCHEMBL14103836;DTXSID80417016;BIM-0027128.P001;SR-01000411880;SR-01000411880-1;5-Benzo[1,3]dioxol-5-yl-7-methyl-2-[5-(4-nitro-phenyl)-furan-2-ylmethylene]-3-ox

Chemical Property of ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property:

• Vapor Pressure: 8.52E-20mmHg at 25°C
• Boiling Point: 706.3°Cat760mmHg
• Flash Point: 380.9°C
• Density: 1.53g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 559.10493581
• Heavy Atom Count: 40
• Complexity: 1140

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(O5)C6=CC=C(C=C6)[N+](=O)[O-])S2)C
• Isomeric SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)/C(=C/C5=CC=C(O5)C6=CC=C(C=C6)[N+](=O)[O-])/S2)C

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