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

Base Information

• Chemical Name: 3-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
• CAS No.: 590396-52-4
• Molecular Formula: C23H18BrN3O2S
• Molecular Weight: 480.37692
• DSSTox Substance ID: DTXSID80365260
• Wikidata: Q82149779
• Mol file: 590396-52-4.mol

Synonyms:590396-52-4;3-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide;3-bromo-N-[[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide;3-Bromo-N-((2-(2,3-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide;DTXSID80365260;LZGVAIWRVFTGBH-UHFFFAOYSA-N;STL378345;AKOS002341564;AN-989/42002806;N-(3-bromobenzoyl)-N'-[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]thiourea

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

Chemical Property:

• PSA: 109.78000
• LogP: 6.79620
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 479.03031
• Heavy Atom Count: 30
• Complexity: 636

Purity/Quality:

3-BROMO-N-[[[2-(2,3-DIMETHYLPHENYL)-5-BENZOXAZOLYL]AMINO]THIOXOMETHYL]-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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