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1613028-81-1

1613028-81-1 structural image
Product Name: SR-9243
Formula: C31H32BrNO4S2
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COMPUTED DESCRIPTORS

Molecular Weight 626.6 g/mol
XLogP3 7.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 9
Exact Mass 625.09561 g/mol
Monoisotopic Mass 625.09561 g/mol
Topological Polar Surface Area 88.3 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 971
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

SR9243 is a sulfonamide resulting from the formal condensation of the sulfonic acid group of mesitylene-2-sulphonic acid with the amino group of 2-(m-bromophenyl)ethylamine in which the nitrogen is substituted by a 4-[m-(methylsulfonyl)phenyl]benzyl group. It has a role as an antineoplastic agent, an apoptosis inducer and a liver X receptor inverse agonist. It is a sulfonamide, a sulfone and a member of bromobenzenes.