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1133387-60-6

1133387-60-6 structural image
Product Name: Aprepitant-d4
Formula: C23H17D4F7N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 538.5 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 6
Exact Mass 538.17529466 g/mol
Monoisotopic Mass 538.17529466 g/mol
Topological Polar Surface Area 75.2 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 810
Isotope Atom Count 4
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