2-chloro-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Base Information

• Chemical Name: 2-chloro-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
• CAS No.: 6409-43-4
• Molecular Formula: C21H13ClFN3O2S
• Molecular Weight: 425.9
• DSSTox Substance ID: DTXSID40365382
• Wikidata: Q82150010

Synonyms:2-chloro-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide;6409-43-4;2-chloro-N-{[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide;Oprea1_677256;DTXSID40365382;STK027135;AKOS000472331

Chemical Property of 2-chloro-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 425.0401037
• Heavy Atom Count: 29
• Complexity: 613

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F)Cl

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