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531500-48-8

531500-48-8 structural image
Product Name: (6S,12bR)-6-(1,3-Benzodioxol-5-yl)-2,3,7,12b-tetrahydro-2-Methyl-pyrazino[1',2':1,5]pyrrolo[3,4-b]quinoline-1,4,12(6H)-trione
Formula: C22H17N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 403.4 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 403.11682065 g/mol
Monoisotopic Mass 403.11682065 g/mol
Topological Polar Surface Area 88.2 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 841
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes