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Search term: WBQYHKCJAWSKMB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-{(1-Benzyl-1H-tetrazol-5-yl)[3-(trifluoromethyl)phenyl]methyl}-4-(2,5-dimethylphenyl)piperazine | C28H29F3N6

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

  • Molecular FormulaC28H29F3N6
  • Average mass506.565 Da
  • Monoisotopic mass506.240570 Da
  • ChemSpider ID2480325

More details:

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

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

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

ASN 07881743 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.2±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 562.90
ACD/KOC (pH 5.5): 1460.64
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 7696.85
ACD/KOC (pH 7.4): 19972.31
Polar Surface Area: 50 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 399.0±7.0 cm3

Click to predict properties on the Chemicalize site


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