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111038-44-9

111038-44-9 structural image
Product Name: 1-Piperazineethanol, alpha-((4-(7-methoxy-2,2-dimethyl-3-phenyl-2H-1-b enzopyran-4-yl)phenoxy)methyl)-4-phenyl-
Formula: C37H40N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 576.7 g/mol
XLogP3 6.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 576.29880776 g/mol
Monoisotopic Mass 576.29880776 g/mol
Topological Polar Surface Area 54.4 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 894
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes