3-fluoro-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide

Base Information

• Chemical Name: 3-fluoro-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide
• CAS No.: 606112-44-1
• Molecular Formula: C18H20FN3O2S
• Molecular Weight: 361.4337032
• DSSTox Substance ID: DTXSID80390451
• Wikidata: Q82187201
• ChEMBL ID: CHEMBL1469845
• Mol file: 606112-44-1.mol

Synonyms:606112-44-1;MLS000856232;SMR000286677;3-Fluoro-N-(1-((furan-2-ylmethyl)carbamothioyl)piperidin-4-yl)benzamide;HMS2696C20;3-fluoro-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide;CHEMBL1469845;BDBM53996;cid_3218756;DTXSID80390451;AKOS000744410;3-fluoro-N-[1-(2-furfurylthiocarbamoyl)-4-piperidyl]benzamide;3-fluoranyl-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide;3-Fluoro-N-(1-{[(furan-2-yl)methyl]carbamothioyl}piperidin-4-yl)benzamide;3-Fluoro-N-{1-[(2-furylmethyl)carbamothioyl]-4-piperidinyl}benzamide;3-fluoro-N-[1-[(2-furanylmethylamino)-sulfanylidenemethyl]-4-piperidinyl]benzamide

Chemical Property of 3-fluoro-N-[1-(furan-2-ylmethylcarbamothioyl)piperidin-4-yl]benzamide

Chemical Property:

• PKA: 13?+-.0.20(Predicted)
• PSA: 100.13000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 3.61160
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 361.12602622
• Heavy Atom Count: 25
• Complexity: 471

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1NC(=O)C2=CC(=CC=C2)F)C(=S)NCC3=CC=CO3