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

Base Information

• Chemical Name: 3-methyl-N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
• CAS No.: 590394-57-3
• Molecular Formula: C21H16N4O2S
• Molecular Weight: 388.44234
• DSSTox Substance ID: DTXSID20408185
• Wikidata: Q82213569
• Mol file: 590394-57-3.mol

Synonyms:590394-57-3;3-methyl-N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide;3-Methyl-N-((2-(pyridin-3-yl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide;DTXSID20408185;STL381079;AKOS002342820;3-Methyl-N-{[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide

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

Chemical Property:

• PSA: 122.67000
• LogP: 5.12030
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 388.09939694
• Heavy Atom Count: 28
• Complexity: 575

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4

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