Methanone, [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1S)-2,2,2-trifluoro-1-methylethoxy]phenyl]-


Chemical Name: Methanone, [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1S)-2,2,2-trifluoro-1-methylethoxy]phenyl]-
CAS Number: 845614-11-1
Product Number: AG00G3NV(AGN-PC-0OJ74V)
Synonyms:
MDL No:
Molecular Formula: C21H20F7N3O4S
Molecular Weight: 543.4550

Identification/Properties


Computed Properties
Molecular Weight:
543.457g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
13
Rotatable Bond Count:
5
Exact Mass:
543.106g/mol
Monoisotopic Mass:
543.106g/mol
Topological Polar Surface Area:
88.2A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
872
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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