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879615-44-8

879615-44-8 structural image
Product Name: 9-(4-propan-2-ylphenyl)-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Formula: C22H22N2O
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COMPUTED DESCRIPTORS

Molecular Weight 330.4 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 330.173213330 g/mol
Monoisotopic Mass 330.173213330 g/mol
Topological Polar Surface Area 41.5 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 569
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes