6-[(3-Bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Base Information

• Chemical Name: 6-[(3-Bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
• CAS No.: 5824-47-5
• Molecular Formula: C₁₀H₄O₃
• Molecular Weight: 172.14
• DSSTox Substance ID: DTXSID90973799

Synonyms:5824-47-5;DTXSID90973799;6-{[4-(Benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Chemical Property of 6-[(3-Bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Chemical Property:

• Vapor Pressure: 3.15E-17mmHg at 25°C
• Boiling Point: 658.8°Cat760mmHg
• Flash Point: 352.2°C
• Density: 1.49g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 560.05177
• Heavy Atom Count: 36
• Complexity: 939

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NN3C(=N)C(=CC4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC)C(=O)N=C3S2

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