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

Base Information

• Chemical Name: N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide
• CAS No.: 590396-63-7
• Molecular Formula: C23H18FN3O2S
• Molecular Weight: 419.4713232
• DSSTox Substance ID: DTXSID10363496
• Wikidata: Q82147212
• Mol file: 590396-63-7.mol

Synonyms:590396-63-7;N-{[2-(2,3-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-fluorobenzamide;N-((2-(2,3-Dimethylphenyl)benzo[d]oxazol-5-yl)carbamothioyl)-3-fluorobenzamide;DTXSID10363496;STL378357;AKOS002341536

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

Chemical Property:

• PSA: 109.78000
• LogP: 6.17280
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 419.11037616
• Heavy Atom Count: 30
• Complexity: 636

Purity/Quality:

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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)F)C

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