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1616340-94-3

1616340-94-3 structural image
Product Name: (2R,5S,13aR)-8-methoxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide
Formula: C22H20F3N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 463.4 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 463.13550523 g/mol
Monoisotopic Mass 463.13550523 g/mol
Topological Polar Surface Area 88.2 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 928
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes