ChemSpider 2D Image | 6-Fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl](~2~H_8_)-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid | C21H12D8FN3O6S

6-Fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl](2H8)-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

  • Molecular FormulaC21H12D8FN3O6S
  • Average mass469.513 Da
  • Monoisotopic mass469.155884 Da
  • ChemSpider ID48061112

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl-2,2,3,3,5,5,6,6-d8]-4-oxo- [ACD/Index Name]
6-Fluor-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl](2H8)-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]chinolin-3-carbonsäure [German] [ACD/IUPAC Name]
6-Fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl](2H8)-1-piperazinyl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-fluoro-1-méthyl-7-{4-[(5-méthyl-2-oxo-1,3-dioxol-4-yl)méthyl](2H8)-1-pipérazinyl}-4-oxo-4H-[1,3]thiazéto[3,2-a]quinoléine-3-carboxylique [French] [ACD/IUPAC Name]
1246819-37-3 [RN]
6-fluoro-1-methyl-7-[2,2,3,3,5,5,6,6-octadeuterio-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 633.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 336.8±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 5.75
ACD/KOC (pH 5.5): 83.76
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.76
Polar Surface Area: 125 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

Click to predict properties on the Chemicalize site


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