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161532-65-6

161532-65-6 structural image
Product Name: D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-(1-ethylpropyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]Methyl]-1-(1H-1,2,4-triazol-1-yl)-
Formula: C37H42F2N8O3
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COMPUTED DESCRIPTORS

Molecular Weight 684.8 g/mol
XLogP3 5.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 12
Exact Mass 684.33479356 g/mol
Monoisotopic Mass 684.33479356 g/mol
Topological Polar Surface Area 91.6 Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1130
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes