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

Base Information

• Chemical Name: 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
• CAS No.: 593238-52-9
• Molecular Formula: C23H17ClFN3O2S
• Molecular Weight: 453.9163832
• DSSTox Substance ID: DTXSID80392036
• Wikidata: Q82189934
• Mol file: 593238-52-9.mol

Synonyms:593238-52-9;STK209764;2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide;2-Chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)-4-fluorobenzamide;DTXSID80392036;AKOS003210488;benzamide,2-chloro-N-[[[3-(5-ethyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-4-fluoro-

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

Chemical Property:

• PSA: 109.78000
• LogP: 6.77180
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 453.0714038
• Heavy Atom Count: 31
• Complexity: 656

Purity/Quality:

2-CHLORO-N-[[[3-(5-ETHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-4-FLUORO-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

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