ChemSpider 2D Image | N,N'-Bis(4-ethoxybenzyl)-1-(phenylsulfonyl)-1H-1,2,4-triazole-3,5-diamine | C26H29N5O4S

N,N'-Bis(4-ethoxybenzyl)-1-(phenylsulfonyl)-1H-1,2,4-triazole-3,5-diamine

  • Molecular FormulaC26H29N5O4S
  • Average mass507.605 Da
  • Monoisotopic mass507.194031 Da
  • ChemSpider ID17518079

More details:

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

1H-1,2,4-Triazole-3,5-diamine, N3,N5-bis[(4-ethoxyphenyl)methyl]-1-(phenylsulfonyl)- [ACD/Index Name]
N,N'-Bis(4-ethoxybenzyl)-1-(phenylsulfonyl)-1H-1,2,4-triazol-3,5-diamin [German] [ACD/IUPAC Name]
N,N'-Bis(4-ethoxybenzyl)-1-(phenylsulfonyl)-1H-1,2,4-triazole-3,5-diamine [ACD/IUPAC Name]
N,N'-Bis(4-éthoxybenzyl)-1-(phénylsulfonyl)-1H-1,2,4-triazole-3,5-diamine [French] [ACD/IUPAC Name]
1-(benzenesulfonyl)-3-N,5-N-bis[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
1-(benzenesulfonyl)-N3,N5-bis[(4-ethoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
1-(benzenesulfonyl)-N3,N5-bis[(4-ethoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
1-Benzenesulfonyl-N*3*,N*5*-bis-(4-ethoxy-benzyl)-1H-[1,2,4]triazole-3,5-diamine
765929-76-8 [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: 721.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.4±3.0 kJ/mol
    Flash Point: 390.1±35.7 °C
    Index of Refraction: 1.624
    Molar Refractivity: 140.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 4.88
    ACD/LogD (pH 5.5): 4.72
    ACD/BCF (pH 5.5): 2279.66
    ACD/KOC (pH 5.5): 8813.64
    ACD/LogD (pH 7.4): 4.72
    ACD/BCF (pH 7.4): 2279.72
    ACD/KOC (pH 7.4): 8813.89
    Polar Surface Area: 116 Å2
    Polarizability: 55.7±0.5 10-24cm3
    Surface Tension: 49.8±7.0 dyne/cm
    Molar Volume: 397.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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