2-chloro-4-fluoro-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide

Base Information

• Chemical Name: 2-chloro-4-fluoro-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
• CAS No.: 593238-50-7
• Molecular Formula: C22H15ClFN3O2S
• Molecular Weight: 439.8898032
• DSSTox Substance ID: DTXSID00392518
• Wikidata: Q82190837
• Mol file: 593238-50-7.mol

Synonyms:593238-50-7;STK209762;2-chloro-4-fluoro-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide;2-Chloro-4-fluoro-N-((3-(6-methylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)benzamide;DTXSID00392518;AKOS003210467;benzamide,2-chloro-4-fluoro-N-[[[3-(6-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-

Chemical Property of 2-chloro-4-fluoro-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide

Chemical Property:

• PSA: 109.78000
• LogP: 6.51780
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 439.0557538
• Heavy Atom Count: 30
• Complexity: 642

Purity/Quality:

2-CHLORO-4-FLUORO-N-[[[3-(6-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

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