3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Base Information

• Chemical Name: 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
• CAS No.: 433690-89-2
• Molecular Formula: C16H13BrN2O4S
• Molecular Weight: 409.3
• DSSTox Substance ID: DTXSID80361722
• Wikidata: Q82144190
• Mol file: 433690-89-2.mol

Synonyms:STK110070;433690-89-2;DTXSID80361722;AKOS000108721;3-({[(5-bromo-2-methoxybenzoyl)amino]carbonothioyl}amino)benzoic acid;3-({[(5-bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Chemical Property of 3-({[(5-Bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 407.97794
• Heavy Atom Count: 24
• Complexity: 491

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O