ChemSpider 2D Image | 1-[1,1-Dioxido-2-({1-[2-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methyl)-1,2-thiazolidin-4-yl]-4-methylpiperazine | C19H25F3N6O2S

1-[1,1-Dioxido-2-({1-[2-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methyl)-1,2-thiazolidin-4-yl]-4-methylpiperazine

  • Molecular FormulaC19H25F3N6O2S
  • Average mass458.501 Da
  • Monoisotopic mass458.171173 Da
  • ChemSpider ID34512789

More details:

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

1-[1,1-Dioxido-2-({1-[2-(trifluormethyl)benzyl]-1H-1,2,3-triazol-4-yl}methyl)-1,2-thiazolidin-4-yl]-4-methylpiperazin [German] [ACD/IUPAC Name]
1-[1,1-Dioxido-2-({1-[2-(trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methyl)-1,2-thiazolidin-4-yl]-4-methylpiperazine [ACD/IUPAC Name]
1-[1,1-Dioxydo-2-({1-[2-(trifluorométhyl)benzyl]-1H-1,2,3-triazol-4-yl}méthyl)-1,2-thiazolidin-4-yl]-4-méthylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[1,1-dioxido-2-[[1-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,3-triazol-4-yl]methyl]-4-isothiazolidinyl]-4-methyl- [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: 589.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.5±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 111.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.80
Polar Surface Area: 83 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 310.3±7.0 cm3

Click to predict properties on the Chemicalize site


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