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

Base Information

• Chemical Name: N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3,4-dimethylbenzamide
• CAS No.: 590396-69-3
• Molecular Formula: C25H23N3O2S
• Molecular Weight: 429.53402
• DSSTox Substance ID: DTXSID40369067
• Wikidata: Q82156070
• Mol file: 590396-69-3.mol

Synonyms:590396-69-3;N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3,4-dimethylbenzamide;N-((2-(2,3-Dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-3,4-dimethylbenzamide;DTXSID40369067;STL378363;AKOS002341559

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

Chemical Property:

• PKA: 8.97±0.70(Predicted)
• PSA: 109.78000
• Density: 1.266±0.06 g/cm3(Predicted)
• LogP: 6.65050
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 429.15109816
• Heavy Atom Count: 31
• Complexity: 659

Purity/Quality:

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(=C(C=C4)C)C)C

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