ChemSpider 2D Image | 8-Nitro-2-{4-[4-(trifluoromethoxy)benzyl]-1-piperazinyl}-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one | C21H16F6N4O4S

8-Nitro-2-{4-[4-(trifluoromethoxy)benzyl]-1-piperazinyl}-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

  • Molecular FormulaC21H16F6N4O4S
  • Average mass534.432 Da
  • Monoisotopic mass534.079651 Da
  • ChemSpider ID129199975

More details:

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

4H-1,3-Benzothiazin-4-one, 8-nitro-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]-6-(trifluoromethyl)- [ACD/Index Name]
8-Nitro-2-{4-[4-(trifluormethoxy)benzyl]-1-piperazinyl}-6-(trifluormethyl)-4H-1,3-benzothiazin-4-on [German] [ACD/IUPAC Name]
8-Nitro-2-{4-[4-(trifluoromethoxy)benzyl]-1-piperazinyl}-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one [ACD/IUPAC Name]
8-Nitro-2-{4-[4-(trifluorométhoxy)benzyl]-1-pipérazinyl}-6-(trifluorométhyl)-4H-1,3-benzothiazin-4-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 558.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.3±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 218.45
ACD/KOC (pH 5.5): 1440.59
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 345.71
ACD/KOC (pH 7.4): 2279.79
Polar Surface Area: 116 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 334.2±7.0 cm3

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