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339276-55-0

339276-55-0 structural image
Product Name: N-(1,5,6,10B-TETRAHYDRO-2H-ISOXAZOLO[3,2-A]ISOQUINOLIN-2-YLMETHYL)-1-(6-CHLORO-3-PYRIDAZINYL)-4-PIPERIDINECARBOXAMIDE
Formula: C22H26ClN5O2
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COMPUTED DESCRIPTORS

Molecular Weight 427.9 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 427.1775028 g/mol
Monoisotopic Mass 427.1775028 g/mol
Topological Polar Surface Area 70.6 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 602
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