ChemSpider 2D Image | {3,5-Bis[(2-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4-dimethoxyphenyl)methanone | C27H29N5O5

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

  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID17517983

More details:

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

{3,5-Bis[(2-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4-dimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
{3,5-Bis[(2-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4-dimethoxyphenyl)methanone [ACD/IUPAC Name]
{3,5-Bis[(2-méthoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4-diméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3,5-bis[[(2-methoxyphenyl)methyl]amino]-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)- [ACD/Index Name]
[3,5-Bis-(2-methoxy-benzylamino)-[1,2,4]triazol-1-yl]-(3,4-dimethoxy-phenyl)-methanone
[3,5-bis[(2-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone
1-(3,4-dimethoxybenzoyl)-N3,N5-bis[(2-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
1-(3,4-dimethoxybenzoyl)-N3,N5-bis[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
768294-49-1 [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: 707.2±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.5±3.0 kJ/mol
    Flash Point: 381.5±35.7 °C
    Index of Refraction: 1.606
    Molar Refractivity: 138.6±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 4.28
    ACD/LogD (pH 5.5): 3.90
    ACD/BCF (pH 5.5): 545.14
    ACD/KOC (pH 5.5): 3164.85
    ACD/LogD (pH 7.4): 3.90
    ACD/BCF (pH 7.4): 545.31
    ACD/KOC (pH 7.4): 3165.87
    Polar Surface Area: 109 Å2
    Polarizability: 55.0±0.5 10-24cm3
    Surface Tension: 45.3±7.0 dyne/cm
    Molar Volume: 402.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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