ChemSpider 2D Image | 3-(5-Bromo-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-1-(2-cyclopropylethyl)-6-fluoro-2,4(1H,3H)-quinolinedione | C21H17BrFN3O4S

3-(5-Bromo-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-1-(2-cyclopropylethyl)-6-fluoro-2,4(1H,3H)-quinolinedione

  • Molecular FormulaC21H17BrFN3O4S
  • Average mass506.345 Da
  • Monoisotopic mass505.010712 Da
  • ChemSpider ID8250446

More details:

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

2,4(1H,3H)-Quinolinedione, 3-(5-bromo-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-1-(2-cyclopropylethyl)-6-fluoro- [ACD/Index Name]
3-(5-Brom-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-1-(2-cyclopropylethyl)-6-fluor-2,4(1H,3H)-chinolindion [German] [ACD/IUPAC Name]
3-(5-Bromo-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-1-(2-cyclopropylethyl)-6-fluoro-2,4(1H,3H)-quinolinedione [ACD/IUPAC Name]
3-(5-Bromo-1,1-dioxydo-4H-1,2,4-benzothiadiazin-3-yl)-1-(2-cyclopropyléthyl)-6-fluoro-2,4(1H,3H)-quinoléinedione [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 763.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.2±35.7 °C
Index of Refraction: 1.769
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 104 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

Click to predict properties on the Chemicalize site


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