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100-90-3

100-90-3 structural image
Product Name: sulfamethazine-n4-acetyl
Formula: C14H16N4O3S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2913 2890

COMPUTED DESCRIPTORS

Molecular Weight 320.37 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 320.09431156 g/mol
Monoisotopic Mass 320.09431156 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 473
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

N(4)-acetylsulfamethazine is a sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine. It has a role as a marine xenobiotic metabolite. It is a sulfonamide, a member of acetamides and a member of pyrimidines.