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

4-[4-Methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarboxamide

  • Molecular FormulaC21H25F3N6O2
  • Average mass450.457 Da
  • Monoisotopic mass450.199097 Da
  • ChemSpider ID58338389

More details:

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

1-Piperazinecarboxamide, 4-[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]-N-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
4-[4-Methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]-N-[4-(trifluormethoxy)phenyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-[4-Methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[4-Méthyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]-N-[4-(trifluorométhoxy)phényl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-(4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)-N-(4-(trifluoromethoxy)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 112.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.00
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 74 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 329.0±3.0 cm3

Click to predict properties on the Chemicalize site


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