6-Fluoro-4-Methyl-5-(4-Methyl-1-Piperazinyl)-8-Oxo-3,4-Dihydro-8H-1-Thia-4,9B-Diazacyclopenta[Cd]Phenalene-9-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H19FN4O3S
IUPAC Name 6-fluoro-4-methyl-5-(4-methyl-1-piperazinyl)-8-oxo-3,4-dihydro-8h-1-thia-4,9b-diazacyclopenta[cd]phenalene-9-carboxylic acid
Molecular Mass 402.443 g·mol−1
Heat of Formation -338.9 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 432.84 Å 3
Surface Area 358.69 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 6-fluoro-3,4-dihydro-4-methyl-5-(4-methyl-1-piperazinyl)-8-oxo-8h-1-thia-4,9b-diazacyclopenta(cd)phenalene-9-carboxylic acid
  • 7-fluoro-9,1-((n-methylimino)methano)-8-(4-methyl-1-piperazinyl)-5-oxo-5h-thiazolo(3,2-a)quinoline-4-carboxylic acid
  • 7-fmmm-tqc
  • 8h-1-thia-4,9b-diazacyclopenta(cd)phenalene-9-carboxylic acid, 6-fluoro-3,4-dihydro-4-methyl-5-(4-methyl-1-piperazinyl)-8-oxo-
  • 9,1-methyliminomethano-7-fluoro-8-(4-methyl-1-piperazinyl)-5-oxo-5h-thiazolo(3,2-a)quinoline-4-carboxylic acid
  • tq no. 5290
CAS Number(s)
  • 132305-67-0
InChIKey BYKFTGDYZYPUOQ-UHFFFAOYSA-N
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