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

Base Information

• Chemical Name: 2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
• CAS No.: 590396-68-2
• Molecular Formula: C23H18BrN3O2S
• Molecular Weight: 480.37692
• DSSTox Substance ID: DTXSID80369066
• Wikidata: Q82156066
• Mol file: 590396-68-2.mol

Synonyms:590396-68-2;2-bromo-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide;DTXSID80369066;STL378362;AKOS002341552;2-Bromo-N-((2-(2,3-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide;Benzamide,2-bromo-N-[[[2-(2,3-dimethylphenyl)-5-benzoxazolyl]amino]thioxomethyl]-(9ci)

Chemical Property of 2-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:

Safty Information:

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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=C4Br)C

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