2-chloro-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide

Base Information

• Chemical Name: 2-chloro-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
• CAS No.: 593238-86-9
• Molecular Formula: C23H17ClFN3O2S
• Molecular Weight: 453.9163832
• DSSTox Substance ID: DTXSID50400859
• Wikidata: Q82203909
• Mol file: 593238-86-9.mol

Synonyms:593238-86-9;STK209772;2-chloro-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide;2-Chloro-N-((4-(5,7-dimethylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)-4-fluorobenzamide;DTXSID50400859;AKOS003210619;benzamide,2-chloro-N-[[[4-(5,7-dimethyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]-4-fluoro-

Chemical Property of 2-chloro-N-{[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 453.0714038
• Heavy Atom Count: 31
• Complexity: 663

Purity/Quality:

2-CHLORO-N-[[[4-(5,7-DIMETHYL-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: CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl)C

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