ChemSpider 2D Image | 4-[2-(4-Isobutyryl-1-piperazinyl)propanoyl]-7-(trifluoromethyl)-3,4-dihydro-2(1H)-quinoxalinone | C20H25F3N4O3

4-[2-(4-Isobutyryl-1-piperazinyl)propanoyl]-7-(trifluoromethyl)-3,4-dihydro-2(1H)-quinoxalinone

  • Molecular FormulaC20H25F3N4O3
  • Average mass426.433 Da
  • Monoisotopic mass426.187866 Da
  • ChemSpider ID21874398

More details:

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

2(1H)-Quinoxalinone, 3,4-dihydro-4-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-oxopropyl]-7-(trifluoromethyl)- [ACD/Index Name]
4-[2-(4-Isobutyryl-1-piperazinyl)propanoyl]-7-(trifluormethyl)-3,4-dihydro-2(1H)-chinoxalinon [German] [ACD/IUPAC Name]
4-[2-(4-Isobutyryl-1-piperazinyl)propanoyl]-7-(trifluoromethyl)-3,4-dihydro-2(1H)-quinoxalinone [ACD/IUPAC Name]
4-[2-(4-Isobutyryl-1-pipérazinyl)propanoyl]-7-(trifluorométhyl)-3,4-dihydro-2(1H)-quinoxalinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.71
ACD/KOC (pH 5.5): 311.40
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.63
ACD/KOC (pH 7.4): 324.47
Polar Surface Area: 73 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

Click to predict properties on the Chemicalize site


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