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

Base Information

• Chemical Name: N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide
• CAS No.: 590394-64-2
• Molecular Formula: C21H14FN3O2S
• Molecular Weight: 391.4181632
• DSSTox Substance ID: DTXSID80403459
• Wikidata: Q82207142
• Mol file: 590394-64-2.mol

Synonyms:590394-64-2;N-((3-(Benzo[d]oxazol-2-yl)phenyl)carbamothioyl)-3-fluorobenzamide;N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-fluorobenzamide;DTXSID80403459;AKOS002342832

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

Chemical Property:

• PSA: 109.78000
• LogP: 5.55600
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 391.07907603
• Heavy Atom Count: 28
• Complexity: 578

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)F

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