ChemSpider 2D Image | 1-{3-[5-(Diphenylmethyl)-1H-tetrazol-1-yl]propyl}-4-[3-(trifluoromethyl)phenyl]piperazine | C28H29F3N6

1-{3-[5-(Diphenylmethyl)-1H-tetrazol-1-yl]propyl}-4-[3-(trifluoromethyl)phenyl]piperazine

  • Molecular FormulaC28H29F3N6
  • Average mass506.565 Da
  • Monoisotopic mass506.240570 Da
  • ChemSpider ID127429533

More details:

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

1-{3-[5-(Diphenylmethyl)-1H-tetrazol-1-yl]propyl}-4-[3-(trifluormethyl)phenyl]piperazin [German] [ACD/IUPAC Name]
1-{3-[5-(Diphenylmethyl)-1H-tetrazol-1-yl]propyl}-4-[3-(trifluoromethyl)phenyl]piperazine [ACD/IUPAC Name]
1-{3-[5-(Diphénylméthyl)-1H-tétrazol-1-yl]propyl}-4-[3-(trifluorométhyl)phényl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[3-[5-(diphenylmethyl)-1H-tetrazol-1-yl]propyl]-4-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4532229/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 672.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 300.43
ACD/KOC (pH 5.5): 940.56
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4023.98
ACD/KOC (pH 7.4): 12597.73
Polar Surface Area: 50 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 400.7±7.0 cm3

Click to predict properties on the Chemicalize site


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