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1486469-43-5

1486469-43-5 structural image
Product Name: 1,2,4-pyrrolidinetricarboxylic acid, 2-(1H-imidazol-1-ylmethyl)-5-(2-thienyl)-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R,4S,5R)-
Formula: C26H29N3O6S
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COMPUTED DESCRIPTORS

Molecular Weight 511.6 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 10
Exact Mass 511.17770683 g/mol
Monoisotopic Mass 511.17770683 g/mol
Topological Polar Surface Area 139 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 814
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