N-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide

Base Information

• Chemical Name: N-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
• CAS No.: 593238-64-3
• Molecular Formula: C27H28ClN3O2S
• Molecular Weight: 494.05
• DSSTox Substance ID: DTXSID10398829
• Wikidata: Q82201033
• Mol file: 593238-64-3.mol

Synonyms:STK243951;593238-64-3;N-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide;DTXSID10398829;AKOS000461845

Chemical Property of N-{[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide

Chemical Property:

• PSA: 109.78000
• LogP: 7.93690
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 493.1590760
• Heavy Atom Count: 34
• Complexity: 768

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

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