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81992-85-0

81992-85-0 structural image
Product Name: Robinin
Formula: C33H40O19
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COMPUTED DESCRIPTORS

Molecular Weight 740.7 g/mol
XLogP3 -2.2
Hydrogen Bond Donor Count 11
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 8
Exact Mass 740.21637904 g/mol
Monoisotopic Mass 740.21637904 g/mol
Topological Polar Surface Area 304 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 1260
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 15
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

N-(cyclopropylmethyl)-1-[3-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide is a natural product found in Astragalus cicer, Equisetum, and Melilotus officinalis with data available.