ChemSpider 2D Image | 2-(Dimethylamino)-2-(4-fluorophenyl)-1-{4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}ethanone | C20H27FN4O

2-(Dimethylamino)-2-(4-fluorophenyl)-1-{4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}ethanone

  • Molecular FormulaC20H27FN4O
  • Average mass358.453 Da
  • Monoisotopic mass358.216888 Da
  • ChemSpider ID29469531

More details:

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

2-(Dimethylamino)-2-(4-fluorophenyl)-1-{4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
2-(Diméthylamino)-2-(4-fluorophényl)-1-{4-[2-(1H-pyrrol-1-yl)éthyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
2-(Dimethylamino)-2-(4-fluorphenyl)-1-{4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl]- [ACD/Index Name]
(1-(4-fluorophenyl)-2-oxo-2-{4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}ethyl)dimethylamine
2-(DIMETHYLAMINO)-2-(4-FLUOROPHENYL)-1-{4-[2-(1H-PYRROL-1-YL)ETHYL]PIPERAZIN-1-YL}ETHAN-1-ONE
2-(DIMETHYLAMINO)-2-(4-FLUOROPHENYL)-1-{4-[2-(PYRROL-1-YL)ETHYL]PIPERAZIN-1-YL}ETHANONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 496.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.0±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 103.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.56
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 18.23
ACD/KOC (pH 7.4): 260.46
Polar Surface Area: 32 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 310.6±7.0 cm3

Click to predict properties on the Chemicalize site


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