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850721-39-0

850721-39-0 structural image
Product Name: 3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(pyridin-4-ylmethyl)-1H-pyrrol-2(5H)-one
Formula: C31H32N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 512.6 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 512.23112213 g/mol
Monoisotopic Mass 512.23112213 g/mol
Topological Polar Surface Area 89 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 882
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes