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86758-88-5

86758-88-5 structural image
Product Name: 1-Piperazinamine, 4-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenyl methylene)-
Formula: C25H25N3S
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COMPUTED DESCRIPTORS

Molecular Weight 399.6 g/mol
XLogP3 5.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 399.17691898 g/mol
Monoisotopic Mass 399.17691898 g/mol
Topological Polar Surface Area 44.1 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 538
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes