N-{[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-fluorobenzamide

Base Information

• Chemical Name: N-{[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-fluorobenzamide
• CAS No.: 590394-10-8
• Molecular Formula: C23H18FN3O2S
• Molecular Weight: 419.4713232
• DSSTox Substance ID: DTXSID10369054
• Wikidata: Q82156036
• Mol file: 590394-10-8.mol

Synonyms:590394-10-8;N-{[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-fluorobenzamide;N-((2-(2,4-Dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-2-fluorobenzamide;DTXSID10369054;STL381051;AKOS002340164

Chemical Property of N-{[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-fluorobenzamide

Chemical Property:

• PSA: 109.78000
• LogP: 6.17280
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 419.11037616
• Heavy Atom Count: 30
• Complexity: 636

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4F)C

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