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1246391-73-0

1246391-73-0 structural image
Product Name: 4-(4-(4-(4-(((3S,5S)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3S)-2-hydroxypentan-3-yl)-1H-1,2,4-triazol-5(4H)-one
Formula: C37H42F2N8O4
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COMPUTED DESCRIPTORS

Molecular Weight 700.8 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 12
Exact Mass 700.32970817 g/mol
Monoisotopic Mass 700.32970817 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1170
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes