N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide

Base Information

• Chemical Name: N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide
• CAS No.: 4550-45-2
• Molecular Formula: C17H24 N4 O5 . Cl H
• Molecular Weight: 554.9625
• DSSTox Substance ID: DTXSID50412316
• Wikidata: Q82219621
• Mol file: 4550-45-2.mol

Synonyms:4550-45-2;STK389584;DTXSID50412316;AKOS000443608

Chemical Property of N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide

Chemical Property:

• Density: 1.478g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 554.0966510
• Heavy Atom Count: 37
• Complexity: 793

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F)Cl