ChemSpider 2D Image | 6-([1-(2-Methoxyethyl)-5-tetrazolidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)quinoline | C25H30F3N7O

6-([1-(2-Methoxyethyl)-5-tetrazolidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)quinoline

  • Molecular FormulaC25H30F3N7O
  • Average mass501.547 Da
  • Monoisotopic mass501.246399 Da
  • ChemSpider ID110177479

More details:

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

6-([1-(2-Methoxyethyl)-5-tetrazolidinyl]{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methyl)chinolin [German] [ACD/IUPAC Name]
6-([1-(2-Méthoxyéthyl)-5-tétrazolidinyl]{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthyl)quinoléine [French] [ACD/IUPAC Name]
6-([1-(2-Methoxyethyl)-5-tetrazolidinyl]{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)quinoline [ACD/IUPAC Name]
Quinoline, 6-[[1-(2-methoxyethyl)-5-tetrazolidinyl][4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 9.71
ACD/KOC (pH 7.4): 78.84
Polar Surface Area: 68 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 393.5±3.0 cm3

Click to predict properties on the Chemicalize site


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