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1254977-87-1

1254977-87-1 structural image
Product Name: 3-(cyclopropylMethyl)-7-(4-phenylpiperidin-1-yl)-8-(trifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridine
Formula: C22H23F3N4
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COMPUTED DESCRIPTORS

Molecular Weight 400.4 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 400.18748124 g/mol
Monoisotopic Mass 400.18748124 g/mol
Topological Polar Surface Area 33.4 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 553
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