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188936-07-4

188936-07-4 structural image
Product Name: (3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-methylphenyl]-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl]decahydroisoquinoline-3-carboxylic acid tert-butylamide
Formula: C26H39N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 457.6 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 457.29405673 g/mol
Monoisotopic Mass 457.29405673 g/mol
Topological Polar Surface Area 94.4 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 721
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes