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951964-69-5

951964-69-5 structural image
Product Name: 1,1-dioxo-2,3-bis(pyridin-4-ylmethyl)-3,4-dihydro-1$l^{6},2-benzothiazin-4-ol
Formula: C20H19N3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 381.4 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 381.11471265 g/mol
Monoisotopic Mass 381.11471265 g/mol
Topological Polar Surface Area 91.8 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 582
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