ChemSpider 2D Image | 1-[(4-Chlorophenyl)sulfonyl]-N,N'-bis(4-ethoxybenzyl)-1H-1,2,4-triazole-3,5-diamine | C26H28ClN5O4S

1-[(4-Chlorophenyl)sulfonyl]-N,N'-bis(4-ethoxybenzyl)-1H-1,2,4-triazole-3,5-diamine

  • Molecular FormulaC26H28ClN5O4S
  • Average mass542.050 Da
  • Monoisotopic mass541.155029 Da
  • ChemSpider ID17518081

More details:

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

1-[(4-Chlorophenyl)sulfonyl]-N,N'-bis(4-ethoxybenzyl)-1H-1,2,4-triazole-3,5-diamine [ACD/IUPAC Name]
1-[(4-Chlorophényl)sulfonyl]-N,N'-bis(4-éthoxybenzyl)-1H-1,2,4-triazole-3,5-diamine [French] [ACD/IUPAC Name]
1-[(4-Chlorphenyl)sulfonyl]-N,N'-bis(4-ethoxybenzyl)-1H-1,2,4-triazol-3,5-diamin [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3,5-diamine, 1-[(4-chlorophenyl)sulfonyl]-N3,N5-bis[(4-ethoxyphenyl)methyl]- [ACD/Index Name]
1-(4-Chloro-benzenesulfonyl)-N*3*,N*5*-bis-(4-ethoxy-benzyl)-1H-[1,2,4]triazole-3,5-diamine
1-(4-chlorobenzenesulfonyl)-N3,N5-bis[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
1-(4-chlorobenzenesulfonyl)-N3,N5-bis[(4-ethoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
1-(4-chlorophenyl)sulfonyl-3-N,5-N-bis[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
765929-78-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 736.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.5±3.0 kJ/mol
    Flash Point: 399.3±35.7 °C
    Index of Refraction: 1.632
    Molar Refractivity: 145.1±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.74
    ACD/LogD (pH 5.5): 5.45
    ACD/BCF (pH 5.5): 8125.16
    ACD/KOC (pH 5.5): 21890.07
    ACD/LogD (pH 7.4): 5.45
    ACD/BCF (pH 7.4): 8125.24
    ACD/KOC (pH 7.4): 21890.29
    Polar Surface Area: 116 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 50.6±7.0 dyne/cm
    Molar Volume: 407.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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