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702665-81-4

702665-81-4 structural image
Product Name: methyl 2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)butanoate
Formula: C13H18N2O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 314.4 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 314.07588479 g/mol
Monoisotopic Mass 314.07588479 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 502
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes