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113558-89-7

113558-89-7 structural image
Product Name: N-[4-[[1-[2-(6-METHYL-2-PYRIDINYL)ETHYL]-4-PIPERIDINYL]CARBONYL]PHENYL]METHANESULFONAMIDE DIHYDROCHLORIDE
Formula: C21H27N3O3S
Synonyms: 4ʹ-[[1-[2-(6-Methyl-2-pyridinyl)ethyl-4-piperidinyl]carbonyl]methanesulfonanilide, 2HCl;E-4031 - CAS 113558-89-7 - Calbiochem
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COMPUTED DESCRIPTORS

Molecular Weight 401.5 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 401.17731291 g/mol
Monoisotopic Mass 401.17731291 g/mol
Topological Polar Surface Area 87.8 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 603
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

E-4031 is a sulfonamide.