ChemSpider 2D Image | 3-[2-(4-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-1-piperazinyl)ethyl]-1,3-benzoxazol-2(3H)-one | C20H20F3N3O5S

3-[2-(4-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-1-piperazinyl)ethyl]-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC20H20F3N3O5S
  • Average mass471.450 Da
  • Monoisotopic mass471.107574 Da
  • ChemSpider ID21964809

More details:

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

2(3H)-Benzoxazolone, 3-[2-[4-[[4-(trifluoromethoxy)phenyl]sulfonyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
3-[2-(4-{[4-(Trifluormethoxy)phenyl]sulfonyl}-1-piperazinyl)ethyl]-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-[2-(4-{[4-(Trifluoromethoxy)phenyl]sulfonyl}-1-piperazinyl)ethyl]-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-[2-(4-{[4-(Trifluorométhoxy)phényl]sulfonyl}-1-pipérazinyl)éthyl]-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.6±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 67.55
ACD/KOC (pH 5.5): 555.89
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.05
ACD/KOC (pH 7.4): 1292.52
Polar Surface Area: 88 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement