(5E)-1-(4-bromophenyl)-5-{[5-(3-nitrophenyl)-2-furyl]methylene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Base Information

• Chemical Name: (5E)-1-(4-bromophenyl)-5-{[5-(3-nitrophenyl)-2-furyl]methylene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
• CAS No.: 6016-72-4
• Molecular Formula: C₂₀H₂₆ClN*ClH
• Molecular Weight: 352.347
• DSSTox Substance ID: DTXSID50367397
• Wikidata: Q82153213
• Mol file: 6016-72-4.mol

Synonyms:6016-72-4;AC1M4P0C;DTXSID50367397;(5E)-1-(4-bromophenyl)-5-{[5-(3-nitrophenyl)-2-furyl]methylene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Chemical Property of (5E)-1-(4-bromophenyl)-5-{[5-(3-nitrophenyl)-2-furyl]methylene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Chemical Property:

• Density: 1.75g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 496.96810
• Heavy Atom Count: 31
• Complexity: 792

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br