3-fluoro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide

Base Information

• Chemical Name: 3-fluoro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
• CAS No.: 590394-08-4
• Molecular Formula: C22H16FN3O2S
• Molecular Weight: 405.4447432
• DSSTox Substance ID: DTXSID80363483
• Wikidata: Q82147193
• Mol file: 590394-08-4.mol

Synonyms:590394-08-4;3-fluoro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide;DTXSID80363483;STL381049;AKOS002340185;3-Fluoro-N-((2-(m-tolyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide

Chemical Property of 3-fluoro-N-{[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide

Chemical Property:

• PSA: 109.78000
• LogP: 5.86440
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 405.09472610
• Heavy Atom Count: 29
• Complexity: 607

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)F

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