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1217486-61-7

1217486-61-7 structural image
Product Name: Alpelisib (BYL719)
Formula: C19H22F3N5O2S
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COMPUTED DESCRIPTORS

Molecular Weight 441.5 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 441.14463062 g/mol
Monoisotopic Mass 441.14463062 g/mol
Topological Polar Surface Area 129 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 663
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

(2S)-N1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-2-thiazolyl]pyrrolidine-1,2-dicarboxamide is a proline derivative.