ChemSpider 2D Image | 1-{3,5-Bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone | C28H31N5O4

1-{3,5-Bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID17518057

More details:

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

1-{3,5-Bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxyethanon [German] [ACD/IUPAC Name]
1-{3,5-Bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone [ACD/IUPAC Name]
1-{3,5-Bis[(4-éthoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phénoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3,5-bis[[(4-ethoxyphenyl)methyl]amino]-1H-1,2,4-triazol-1-yl]-2-phenoxy- [ACD/Index Name]
1-[3,5-bis({[(4-ethoxyphenyl)methyl]amino})-1,2,4-triazol-1-yl]-2-phenoxyethanone
1-[3,5-bis({[(4-ethoxyphenyl)methyl]amino})-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
1-[3,5-Bis-(4-ethoxy-benzylamino)-[1,2,4]triazol-1-yl]-2-phenoxy-ethanone
1-[3,5-bis[(4-ethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-2-phenoxyethanone
768295-48-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 710.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 383.6±35.7 °C
    Index of Refraction: 1.604
    Molar Refractivity: 142.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 4.96
    ACD/LogD (pH 5.5): 4.96
    ACD/BCF (pH 5.5): 3478.19
    ACD/KOC (pH 5.5): 11924.69
    ACD/LogD (pH 7.4): 4.96
    ACD/BCF (pH 7.4): 3479.53
    ACD/KOC (pH 7.4): 11929.28
    Polar Surface Area: 100 Å2
    Polarizability: 56.4±0.5 10-24cm3
    Surface Tension: 46.2±7.0 dyne/cm
    Molar Volume: 413.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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