ChemSpider 2D Image | 4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarboxamide | C21H25F3N6O2

4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarboxamide

  • Molecular FormulaC21H25F3N6O2
  • Average mass450.457 Da
  • Monoisotopic mass450.199097 Da
  • ChemSpider ID22952568

More details:

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

1-Piperazinecarboxamide, 4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-N-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-N-[2-(trifluormethyl)phenyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[2-Méthyl-6-(4-morpholinyl)-4-pyrimidinyl]-N-[2-(trifluorométhyl)phényl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-(2-methyl-6-morpholinopyrimidin-4-yl)-N-(2-(trifluoromethyl)phenyl)piperazine-1-carboxamide
4-[2-METHYL-6-(MORPHOLIN-4-YL)PYRIMIDIN-4-YL]-N-[2-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE-1-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.6±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 74 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 330.9±3.0 cm3

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