ChemSpider 2D Image | 1-Ethyl-2,4-dioxo-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C20H20F3N5O3

1-Ethyl-2,4-dioxo-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC20H20F3N5O3
  • Average mass435.400 Da
  • Monoisotopic mass435.151825 Da
  • ChemSpider ID22099869

More details:

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

1-Ethyl-2,4-dioxo-3-(2-oxo-2-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}ethyl)-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
1-Ethyl-2,4-dioxo-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
1-Éthyl-2,4-dioxo-3-(2-oxo-2-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}éthyl)-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 1-ethyl-1,2,3,4-tetrahydro-2,4-dioxo-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]- [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: 576.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.2±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.41
ACD/KOC (pH 5.5): 410.35
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.41
ACD/KOC (pH 7.4): 410.41
Polar Surface Area: 88 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 299.5±5.0 cm3

Click to predict properties on the Chemicalize site


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