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688779-26-2

688779-26-2 structural image
Product Name: 2-CHLORO-6-FLUOROBENZYL 5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL SULFIDE
Formula: C14H12ClFN4S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 30.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 322.8 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 322.0455234 g/mol
Monoisotopic Mass 322.0455234 g/mol
Topological Polar Surface Area 68.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 364
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