4-Chloro-3-[({[3-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid

Base Information

• Chemical Name: 4-Chloro-3-[({[3-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid
• CAS No.: 532420-88-5
• Molecular Formula: C18H17ClN2O4S
• Molecular Weight: 392.86
• DSSTox Substance ID: DTXSID50361678
• Wikidata: Q82144121
• Mol file: 532420-88-5.mol

Synonyms:STK101636;532420-88-5;DTXSID50361678;AKOS000108705;4-chloro-3-({[(3-isopropoxybenzoyl)amino]carbonothioyl}amino)benzoic acid;4-chloro-3-[({[3-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid

Chemical Property of 4-Chloro-3-[({[3-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid

Chemical Property:

• PSA: 130.28000
• LogP: 4.74750
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 392.0597559
• Heavy Atom Count: 26
• Complexity: 531

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl