(5E)-5-(4-ethoxy-3-methoxybenzylidene)-1-(4-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Base Information

• Chemical Name: (5E)-5-(4-ethoxy-3-methoxybenzylidene)-1-(4-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
• CAS No.: 5957-11-9
• Molecular Formula: C22H22N2O4S
• Molecular Weight: 410.4861
• DSSTox Substance ID: DTXSID30367153
• Wikidata: Q82152804

Synonyms:STK191582;(5E)-5-(4-ethoxy-3-methoxybenzylidene)-1-(4-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;5957-11-9;DTXSID30367153;AKOS003221930;BIM-0038726.P001

Chemical Property of (5E)-5-(4-ethoxy-3-methoxybenzylidene)-1-(4-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.31g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 410.13002836
• Heavy Atom Count: 29
• Complexity: 657

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC)OC)C(=O)NC2=S
• Isomeric SMILES: CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC)OC)/C(=O)NC2=S

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