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23903-53-9

23903-53-9 structural image
Product Name: 2,5-DIMETHYL-4-OXO-3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
Formula: C11H12N2O3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 2.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 252.29 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 252.05686342 g/mol
Monoisotopic Mass 252.05686342 g/mol
Topological Polar Surface Area 96 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 383
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