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1003319-79-6

1003319-79-6 structural image
Product Name: Fungicide1
Formula: C24H22F5N5O2S
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COMPUTED DESCRIPTORS

Molecular Weight 539.5 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 5
Exact Mass 539.14143695 g/mol
Monoisotopic Mass 539.14143695 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 848
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(R)-oxathiapiprolin is a 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone that has R configuration at position 5 of the 4,5-dihydro-1,2-oxazole ring. It is an enantiomer of a (S)-oxathiapiprolin.