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773888-45-2

773888-45-2 structural image
Product Name: 1H-Thieno[3,4-d]iMidazole-4-pentanaMide, hexahydro-2-oxo-N-2-propynyl-, (3aS,4S,6aR)-
Formula: C13H19N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 281.38 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 281.11979803 g/mol
Monoisotopic Mass 281.11979803 g/mol
Topological Polar Surface Area 95.5 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 404
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes