ethyl (2Z)-2-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Base Information

• Chemical Name: ethyl (2Z)-2-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• CAS No.: 5678-27-3
• Molecular Formula: C5H4 N2 O4
• Molecular Weight: 630.4938
• DSSTox Substance ID: DTXSID30417046

Synonyms:5678-27-3;ethyl (2Z)-2-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate;AC1NSZA8;DTXSID30417046;ethyl 2-[4-(allyloxy)-3-iodo-5-methoxybenzylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property of ethyl (2Z)-2-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property:

• Vapor Pressure: 2.24E-19mmHg at 25°C
• Boiling Point: 698.8°Cat760mmHg
• Flash Point: 376.4°C
• Density: 1.48g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 630.06854
• Heavy Atom Count: 37
• Complexity: 987

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=CC(=C(C(=C4)I)OCC=C)OC)S2)C
• Isomeric SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)/C(=C/C4=CC(=C(C(=C4)I)OCC=C)OC)/S2)C

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