ChemSpider 2D Image | N-{3-[6-Fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide | C25H19F2N3O6S2

N-{3-[6-Fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide

  • Molecular FormulaC25H19F2N3O6S2
  • Average mass559.562 Da
  • Monoisotopic mass559.068359 Da
  • ChemSpider ID24709712

More details:

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

Methanesulfonamide, N-[3-[6-fluoro-1-[(4-fluorophenyl)methyl]-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl]- [ACD/Index Name]
N-{3-[6-Fluor-1-(4-fluorbenzyl)-4-hydroxy-2-oxo-1,2-dihydro-3-chinolinyl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methansulfonamid [German] [ACD/IUPAC Name]
N-{3-[6-Fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydro-3-quinoléinyl]-1,1-dioxydo-4H-1,4-benzothiazin-7-yl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{3-[6-Fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinyl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide [ACD/IUPAC Name]
N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497075/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 689.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction: 1.717
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 33.47
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 77.0±3.0 dyne/cm
Molar Volume: 341.1±3.0 cm3

Click to predict properties on the Chemicalize site


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