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946385-36-0

946385-36-0 structural image
Product Name: tert-butyl 4-(3-cyano-4,6-dimethylpyridin-2-yl)-1,4-diazepane-1-carboxylate
Formula: C18H26N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 330.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 330.20557608 g/mol
Monoisotopic Mass 330.20557608 g/mol
Topological Polar Surface Area 69.5 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 493
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