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368432-98-8

368432-98-8 structural image
Product Name: 1,3-bis[3-(azepan-1-yl)-2-hydroxypropyl]benzimidazol-2-one
Formula: C25H40N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 444.6 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 8
Exact Mass 444.31004115 g/mol
Monoisotopic Mass 444.31004115 g/mol
Topological Polar Surface Area 70.5 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 528
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