ChemSpider 2D Image | 1-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine | C21H23F3N6O2

1-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine

  • Molecular FormulaC21H23F3N6O2
  • Average mass448.441 Da
  • Monoisotopic mass448.183472 Da
  • ChemSpider ID22767675

More details:

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

1-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-4-[3-(trifluormethyl)phenyl]piperazin [German] [ACD/IUPAC Name]
1-{[5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine [ACD/IUPAC Name]
1-{[5-(3,4-Diméthoxyphényl)-2H-tétrazol-2-yl]méthyl}-4-[3-(trifluorométhyl)phényl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]methyl]-4-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 575.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.8±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 303.53
ACD/KOC (pH 5.5): 1980.59
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.62
ACD/KOC (pH 7.4): 2353.12
Polar Surface Area: 69 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 328.1±7.0 cm3

Click to predict properties on the Chemicalize site


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