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1227158-85-1

1227158-85-1 structural image
Product Name: BAY 87-2243
Formula: C26H26F3N7O2
Synonyms: 1-Cyclopropyl-4-[4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-1-yl]methyl]-2-pyridinyl]piperazine;1-Cyclopropyl-4-{4-[(5-methyl-3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]pyridin-2-yl}piperazine
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COMPUTED DESCRIPTORS

Molecular Weight 525.5 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 7
Exact Mass 525.21000758 g/mol
Monoisotopic Mass 525.21000758 g/mol
Topological Polar Surface Area 85.3 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 774
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes