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

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

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID17518091

More details:

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

{3,5-Bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
{3,5-Bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-methoxyphenyl)methanone [ACD/IUPAC Name]
{3,5-Bis[(4-éthoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3,5-bis[[(4-ethoxyphenyl)methyl]amino]-1H-1,2,4-triazol-1-yl](3-methoxyphenyl)- [ACD/Index Name]
[3,5-Bis-(4-ethoxy-benzylamino)-[1,2,4]triazol-1-yl]-(3-methoxy-phenyl)-methanone
[3,5-bis[(4-ethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone
792925-81-6 [RN]
N3,N5-bis[(4-ethoxyphenyl)methyl]-1-(3-methoxybenzoyl)-1,2,4-triazole-3,5-diamine
N3,N5-bis[(4-ethoxyphenyl)methyl]-1-(3-methoxybenzoyl)-1H-1,2,4-triazole-3,5-diamine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 706.6±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.4±3.0 kJ/mol
    Flash Point: 381.1±35.7 °C
    Index of Refraction: 1.605
    Molar Refractivity: 142.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.26
    ACD/LogD (pH 5.5): 4.89
    ACD/BCF (pH 5.5): 3039.89
    ACD/KOC (pH 5.5): 10828.71
    ACD/LogD (pH 7.4): 4.89
    ACD/BCF (pH 7.4): 3041.04
    ACD/KOC (pH 7.4): 10832.83
    Polar Surface Area: 100 Å2
    Polarizability: 56.3±0.5 10-24cm3
    Surface Tension: 45.3±7.0 dyne/cm
    Molar Volume: 412.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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