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847445-81-2

847445-81-2 structural image
Product Name: 1,2,4-Triazolo[4,3-a]pyrazine, 7-[3-amino-1-oxo-4-(2,4,5-trifluorophenyl)-2-butenyl]-5,6,7,8-tetrahydro- 3-(trifluoromethyl)-
Formula: C16H13F6N5O
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COMPUTED DESCRIPTORS

Molecular Weight 405.30 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 3
Exact Mass 405.10242903 g/mol
Monoisotopic Mass 405.10242903 g/mol
Topological Polar Surface Area 77 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 617
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes