Found 153 results

Search term: MF = 'C_{25}H_{19}FN_{6}O_{2}'
ChemSpider 2D Image | 4-{3-(4-Fluorophenyl)-2,5-dioxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-dihydro-1H-pyrrol-1-yl}benzonitrile | C25H19FN6O2

4-{3-(4-Fluorophenyl)-2,5-dioxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-dihydro-1H-pyrrol-1-yl}benzonitrile

  • Molecular FormulaC25H19FN6O2
  • Average mass454.456 Da
  • Monoisotopic mass454.155365 Da
  • ChemSpider ID32244334

More details:

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

4-{3-(4-Fluorophenyl)-2,5-dioxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-dihydro-1H-pyrrol-1-yl}benzonitrile [ACD/IUPAC Name]
4-{3-(4-Fluorophényl)-2,5-dioxo-4-[4-(2-pyrimidinyl)-1-pipérazinyl]-2,5-dihydro-1H-pyrrol-1-yl}benzonitrile [French] [ACD/IUPAC Name]
4-{3-(4-Fluorphenyl)-2,5-dioxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2,5-dihydro-1H-pyrrol-1-yl}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[3-(4-fluorophenyl)-2,5-dihydro-2,5-dioxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-pyrrol-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 686.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.8±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 78.62
ACD/KOC (pH 5.5): 733.93
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.15
ACD/KOC (pH 7.4): 953.60
Polar Surface Area: 93 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 307.8±5.0 cm3

Click to predict properties on the Chemicalize site


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