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

Base Information

• Chemical Name: 2-phenyl-N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl}acetamide
• CAS No.: 590395-09-8
• Molecular Formula: C21H16N4O2S
• Molecular Weight: 388.44234
• DSSTox Substance ID: DTXSID40404447
• Wikidata: Q82208650
• Mol file: 590395-09-8.mol

Synonyms:590395-09-8;2-Phenyl-N-((2-(pyridin-3-yl)benzo[d]oxazol-5-yl)carbamothioyl)acetamide;2-phenyl-N-{[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl}acetamide;DTXSID40404447;AKOS002340717;Benzeneacetamide,N-[[[2-(3-pyridinyl)-5-benzoxazolyl]amino]thioxomethyl]-(9ci)

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

Chemical Property:

• PSA: 122.67000
• LogP: 5.00630
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 388.09939694
• Heavy Atom Count: 28
• Complexity: 555

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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