Butyl 4-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

Base Information

• Chemical Name: Butyl 4-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
• CAS No.: 5926-72-7
• Molecular Formula: C25H24N4O4S
• Molecular Weight: 476.5
• DSSTox Substance ID: DTXSID60365309
• Wikidata: Q82149872
• Mol file: 5926-72-7.mol

Synonyms:5926-72-7;CBMicro_037518;DTXSID60365309;STK865502;AKOS005610561;Butyl 4-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate;BIM-0037745.P001;SR-01000517239;SR-01000517239-1;Butyl 4-(2-((5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate;butyl 4-[({[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Chemical Property of Butyl 4-(2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 476.15182643
• Heavy Atom Count: 34
• Complexity: 655

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4