ChemSpider 2D Image | 4-(3-{6-[4-(2-Methoxyethyl)-1-piperazinyl]hexyl}-4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(trifluoromethyl)benzonitrile | C26H33F3N4O3

4-(3-{6-[4-(2-Methoxyethyl)-1-piperazinyl]hexyl}-4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID8393370

More details:

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

4-(3-{6-[4-(2-Methoxyethyl)-1-piperazinyl]hexyl}-4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-(3-{6-[4-(2-Methoxyethyl)-1-piperazinyl]hexyl}-4-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-(3-{6-[4-(2-Méthoxyéthyl)-1-pipérazinyl]hexyl}-4-méthyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2,5-dihydro-3-[6-[4-(2-methoxyethyl)-1-piperazinyl]hexyl]-4-methyl-2,5-dioxo-1H-pyrrol-1-yl]-2-(trifluoromethyl)- [ACD/Index 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: 613.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.58
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 22.68
ACD/KOC (pH 7.4): 227.91
Polar Surface Area: 77 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 398.4±5.0 cm3

Click to predict properties on the Chemicalize site


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