ChemSpider 2D Image | 4-{2-(Cyanomethyl)-6-ethyl-5-[3-(trifluoromethyl)benzyl]-4-pyrimidinyl}-N,N-dimethyl-1-piperazinecarboxamide | C23H27F3N6O

4-{2-(Cyanomethyl)-6-ethyl-5-[3-(trifluoromethyl)benzyl]-4-pyrimidinyl}-N,N-dimethyl-1-piperazinecarboxamide

  • Molecular FormulaC23H27F3N6O
  • Average mass460.495 Da
  • Monoisotopic mass460.219849 Da
  • ChemSpider ID29217240

More details:

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

1-Piperazinecarboxamide, 4-[2-(cyanomethyl)-6-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrimidinyl]-N,N-dimethyl- [ACD/Index Name]
4-{2-(Cyanmethyl)-6-ethyl-5-[3-(trifluormethyl)benzyl]-4-pyrimidinyl}-N,N-dimethyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-{2-(Cyanomethyl)-6-ethyl-5-[3-(trifluoromethyl)benzyl]-4-pyrimidinyl}-N,N-dimethyl-1-piperazinecarboxamide [ACD/IUPAC Name]
4-{2-(Cyanométhyl)-6-éthyl-5-[3-(trifluorométhyl)benzyl]-4-pyrimidinyl}-N,N-diméthyl-1-pipérazinecarboxamide [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: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 7.29
ACD/KOC (pH 5.5): 65.51
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 97.79
ACD/KOC (pH 7.4): 878.66
Polar Surface Area: 76 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 366.2±3.0 cm3

Click to predict properties on the Chemicalize site


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