N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide

Base Information

• Chemical Name: N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
• CAS No.: 593238-69-8
• Molecular Formula: C26H27N3O3S
• Molecular Weight: 461.58
• DSSTox Substance ID: DTXSID30425464
• Wikidata: Q82238323
• Mol file: 593238-69-8.mol

Synonyms:N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide;593238-69-8;DTXSID30425464;STK209767;AKOS003210452;N-{[4-(1,3-Benzoxazol-2(3H)-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]decan-1-yl)acetamide

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

Chemical Property:

• PSA: 129.75000
• LogP: 5.06430
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 461.17731291
• Heavy Atom Count: 33
• Complexity: 735

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)C5=NC6=CC=CC=C6O5)O