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956967-48-9

956967-48-9 structural image
Product Name: (12bS)-7-(4-isopropoxy-3-methoxyphenyl)-2-(2-methoxybenzyl)-12b-methyl-2,3,6,7-tetrahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4(12H,12bH)-dione
Formula: C33H35N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 553.6 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 553.25767123 g/mol
Monoisotopic Mass 553.25767123 g/mol
Topological Polar Surface Area 84.1 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 961
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes