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1006592-45-5

1006592-45-5 structural image
Product Name: (3aS,4S,6aR)-Hexahydro-2-oxo-N-(15-oxo-3,6,9,12-tetraoxa-16-azanonadec-18-yn-1-yl)-1H-thieno[3,4-d]imidazole-4-pentanamide
Formula: C24H40N4O7S
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COMPUTED DESCRIPTORS

Molecular Weight 528.7 g/mol
XLogP3 -1.1
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 21
Exact Mass 528.26177080 g/mol
Monoisotopic Mass 528.26177080 g/mol
Topological Polar Surface Area 162 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 718
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