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

Base Information

• Chemical Name: 4-[[5-(4-Chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
• CAS No.: 532939-09-6
• Molecular Formula: C19H13ClN2O4S
• Molecular Weight: 400.84
• DSSTox Substance ID: DTXSID50403784
• Mol file: 532939-09-6.mol

Synonyms:4-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid;532939-09-6;DTXSID50403784;AKOS000108830

Chemical Property of 4-[[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: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O)Cl