ChemSpider 2D Image | 1-{1-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl]propyl}-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine | C22H24F3N7O2

1-{1-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl]propyl}-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

  • Molecular FormulaC22H24F3N7O2
  • Average mass475.467 Da
  • Monoisotopic mass475.194366 Da
  • ChemSpider ID28659109

More details:

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

1-{1-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl]propyl}-4-[5-(trifluormethyl)-2-pyridinyl]piperazin [German] [ACD/IUPAC Name]
1-{1-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl]propyl}-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine [ACD/IUPAC Name]
1-{1-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tétrazol-5-yl]propyl}-4-[5-(trifluorométhyl)-2-pyridinyl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl]propyl]-4-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 617.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.5±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 26.62
ACD/KOC (pH 5.5): 254.77
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.98
ACD/KOC (pH 7.4): 870.81
Polar Surface Area: 81 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 321.2±7.0 cm3

Click to predict properties on the Chemicalize site


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