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522597-99-5

522597-99-5 structural image
Product Name: 2-AMINO-N-(PYRIDIN-3-YLMETHYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
Formula: C15H17N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 287.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 287.10923335 g/mol
Monoisotopic Mass 287.10923335 g/mol
Topological Polar Surface Area 96.2 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 352
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