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767317-73-7

767317-73-7 structural image
Product Name: 5-methyl-N-phenyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Formula: C20H16F3N5O
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COMPUTED DESCRIPTORS

Molecular Weight 399.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 399.13069464 g/mol
Monoisotopic Mass 399.13069464 g/mol
Topological Polar Surface Area 71.8 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 639
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes