3-[[5-(4-Chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid

Base Information

• Chemical Name: 3-[[5-(4-Chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
• CAS No.: 462603-86-7
• Molecular Formula: C19H13ClN2O4S
• Molecular Weight: 400.84
• DSSTox Substance ID: DTXSID50361719
• Wikidata: Q82144184
• ChEMBL ID: CHEMBL1307934
• Mol file: 462603-86-7.mol

Synonyms:462603-86-7;MLS000690633;CHEMBL1307934;SCHEMBL12838840;DTXSID50361719;HMS2627G22;STK729994;3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid;AKOS000108841;SMR000298894;3-[({[5-(4-chlorophenyl)-2-furoyl]amino}carbonothioyl)amino]benzoic acid;3-[({[5-(4-chlorophenyl)furan-2-yl]carbonyl}carbamothioyl)amino]benzoic acid

Chemical Property of 3-[[5-(4-Chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid

Chemical Property:

• PSA: 134.19000
• LogP: 5.22030
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 400.0284558
• Heavy Atom Count: 27
• Complexity: 568

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)O