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108319-06-8

108319-06-8 structural image
Product Name: TEMAFLOXACIN
Formula: C21H18F3N3O3
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CHEMICAL AND PHYSICAL PROPERTIES

LogP -0.2

COMPUTED DESCRIPTORS

Molecular Weight 417.4 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 3
Exact Mass 417.13002593 g/mol
Monoisotopic Mass 417.13002593 g/mol
Topological Polar Surface Area 72.9 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 721
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is a quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, and 7 by 2,4-difluorophenyl, fluorine, and 3-methylpiperazin-1-yl groups, respectively. It is a quinolone, an amino acid, a monocarboxylic acid, an organofluorine compound, a secondary amino compound, a tertiary amino compound, a N-arylpiperazine and a quinolone antibiotic.