ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazinecarboxylate | C19H24ClN5O3

2-Methyl-2-propanyl 4-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazinecarboxylate

  • Molecular FormulaC19H24ClN5O3
  • Average mass405.879 Da
  • Monoisotopic mass405.156769 Da
  • ChemSpider ID26049855

More details:

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

1-Piperazinecarboxylic acid, 4-[[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[1-(4-chlorphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[1-(4-Chlorophényl)-5-méthyl-1H-1,2,3-triazol-4-yl]carbonyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1241981-75-8 [RN]
4-[1-(4-Chloro-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
tert-butyl 4-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)piperazine-1-carboxylate
tert-butyl 4-[1-(4-chlorophenyl)-5-methyltriazole-4-carbonyl]piperazine-1-carboxylate
tert-butyl 4-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}piperazine-1-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 579.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.7±3.0 kJ/mol
    Flash Point: 304.1±32.9 °C
    Index of Refraction: 1.621
    Molar Refractivity: 107.9±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): 2.46
    ACD/BCF (pH 5.5): 43.58
    ACD/KOC (pH 5.5): 518.86
    ACD/LogD (pH 7.4): 2.46
    ACD/BCF (pH 7.4): 43.58
    ACD/KOC (pH 7.4): 518.86
    Polar Surface Area: 81 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 48.5±7.0 dyne/cm
    Molar Volume: 306.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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