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685106-53-0

685106-53-0 structural image
Product Name: 11-AMINO-2,3-DIMETHOXY-5,6,13,13A-TETRAHYDRO-8H-PYRIMIDO[4',5':4,5]PYRIDO[2,1-A]ISOQUINOLIN-8-ONE
Formula: C17H18N4O3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >49 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 326.35 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 326.13789045 g/mol
Monoisotopic Mass 326.13789045 g/mol
Topological Polar Surface Area 90.6 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 491
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes