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799808-85-8

799808-85-8 structural image
Product Name: 1-methyl-3,7-bis(4-nitrobenzoyl)-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Formula: C25H26N4O7
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COMPUTED DESCRIPTORS

Molecular Weight 494.5 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 494.18014918 g/mol
Monoisotopic Mass 494.18014918 g/mol
Topological Polar Surface Area 149 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 852
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes