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

Base Information

• Chemical Name: 3-chloro-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
• CAS No.: 590396-64-8
• Molecular Formula: C23H18ClN3O2S
• Molecular Weight: 435.92592
• DSSTox Substance ID: DTXSID20369065
• Wikidata: Q82156059
• Mol file: 590396-64-8.mol

Synonyms:590396-64-8;3-chloro-N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide;3-Chloro-N-((2-(2,3-dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide;DTXSID20369065;STL378358;AKOS002341540

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

Chemical Property:

• PSA: 109.78000
• LogP: 6.68710
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 435.0808257
• 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=C4)Cl)C

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