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519056-58-7

519056-58-7 structural image
Product Name: ETHYL 5-SULFANYL[1,2,3]TRIAZOLO[1,5-A]QUINAZOLINE-3-CARBOXYLATE
Formula: C12H10N4O2S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 23.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 274.30 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 274.05244675 g/mol
Monoisotopic Mass 274.05244675 g/mol
Topological Polar Surface Area 98.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 488
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