ChemSpider 2D Image | N-Ethyl-2-{7-[(4-fluorophenyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl}-N-phenylacetamide | C21H19FN6O2

N-Ethyl-2-{7-[(4-fluorophenyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl}-N-phenylacetamide

  • Molecular FormulaC21H19FN6O2
  • Average mass406.413 Da
  • Monoisotopic mass406.155365 Da
  • ChemSpider ID26319964

More details:

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

1,2,4-Triazolo[4,3-a]pyrimidine-2(3H)-acetamide, N-ethyl-7-[(4-fluorophenyl)amino]-3-oxo-N-phenyl- [ACD/Index Name]
N-Ethyl-2-{7-[(4-fluorophenyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl}-N-phenylacetamide [ACD/IUPAC Name]
N-Éthyl-2-{7-[(4-fluorophényl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl}-N-phénylacétamide [French] [ACD/IUPAC Name]
N-Ethyl-2-{7-[(4-fluorphenyl)amino]-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl}-N-phenylacetamid [German] [ACD/IUPAC Name]
1251620-95-7 [RN]
N1-ethyl-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]-N1-phenylacetamide
N-ethyl-2-(7-((4-fluorophenyl)amino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl)-N-phenylacetamide
N-ethyl-2-[7-(4-fluoroanilino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]-N-phenylacetamide
N-ethyl-2-{7-[(4-fluorophenyl)amino]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl}-N-phenylacetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 111.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.96
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 8.93
ACD/KOC (pH 7.4): 152.94
Polar Surface Area: 81 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 299.5±7.0 cm3

Click to predict properties on the Chemicalize site


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