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297157-92-7

297157-92-7 structural image
Product Name: 3-(3,4-DiMethoxyphenyl)-2,3,4,5,10,11-hexahydro-11-(3-phenoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one
Formula: C33H30N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 518.6 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 518.22055744 g/mol
Monoisotopic Mass 518.22055744 g/mol
Topological Polar Surface Area 68.8 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 870
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