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Homecas552293-34-2

552293-34-2

552293-34-2 structural image
Product Name: Intermediate of Rolapitant
Formula: C30H27F6NO3
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COMPUTED DESCRIPTORS

Molecular Weight 563.5 g/mol
XLogP3 7.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 8
Exact Mass 563.18951270 g/mol
Monoisotopic Mass 563.18951270 g/mol
Topological Polar Surface Area 38.8 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 827
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