ChemSpider 2D Image | (2Z)-3-(4-Nitrophenyl)-1-(4-{5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-piperazinyl)-2-propen-1-one | C21H17F3N6O4

(2Z)-3-(4-Nitrophenyl)-1-(4-{5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-piperazinyl)-2-propen-1-one

  • Molecular FormulaC21H17F3N6O4
  • Average mass474.393 Da
  • Monoisotopic mass474.126343 Da
  • ChemSpider ID39241057

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(4-Nitrophenyl)-1-(4-{5-[5-(trifluormethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-piperazinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-3-(4-Nitrophenyl)-1-(4-{5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-piperazinyl)-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-(4-Nitrophényl)-1-(4-{5-[5-(trifluorométhyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl}-1-pipérazinyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(4-nitrophenyl)-1-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]-, (2Z)- [ACD/Index Name]
(Z)-3-(4-nitrophenyl)-1-(4-(5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyridin-2-yl)piperazin-1-yl)prop-2-en-1-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 653.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 112.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 92.53
ACD/KOC (pH 5.5): 871.28
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.35
ACD/KOC (pH 7.4): 935.55
Polar Surface Area: 121 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement