N-{[4-hydroxy-3-(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-{[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
• CAS No.: 593238-62-1
• Molecular Formula: C27H29N3O3S
• Molecular Weight: 475.6
• DSSTox Substance ID: DTXSID60425679
• Wikidata: Q82238594
• Mol file: 593238-62-1.mol

Synonyms:593238-62-1;N-{[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide;DTXSID60425679;AKOS003210604;N-{[3-(5-Methyl-1,3-benzoxazol-2(3H)-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]decan-1-yl)acetamide

Chemical Property of N-{[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide

Chemical Property:

• PKA: 8.65±0.50(Predicted)
• PSA: 129.75000
• Density: 1.346±0.06 g/cm3(Predicted)
• LogP: 5.37270
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 475.19296297
• Heavy Atom Count: 34
• Complexity: 765

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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