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741731-79-3

741731-79-3 structural image
Product Name: [1,2,4]Triazolo[4,3-a]quinazolin-5(1H)-one, 2,4-dihydro-4-propyl-1-thioxo-
Formula: C12H12N4OS
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >39 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 260.32 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 260.07318219 g/mol
Monoisotopic Mass 260.07318219 g/mol
Topological Polar Surface Area 80 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 422
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