ChemSpider 2D Image | N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)ethyl]-5-(2-furyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide | C22H19F3N6O2

N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)ethyl]-5-(2-furyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

  • Molecular FormulaC22H19F3N6O2
  • Average mass456.421 Da
  • Monoisotopic mass456.152161 Da
  • ChemSpider ID23008657

More details:






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

[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxamide, N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl]-5-(2-furanyl)-7-(trifluoromethyl)- [ACD/Index Name]
N-[2-(3,4-Dihydro-2(1H)-isochinolinyl)ethyl]-5-(2-furyl)-7-(trifluormethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-carboxamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Dihydro-2(1H)-isoquinoléinyl)éthyl]-5-(2-furyl)-7-(trifluorométhyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide [French] [ACD/IUPAC Name]
N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)ethyl]-5-(2-furyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide [ACD/IUPAC Name]
N-{2-[3,4-dihydro-2(1H)-isoquinolinyl]ethyl}-5-(2-furyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 15.08
Polar Surface Area: 89 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

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