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

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

  • Molecular FormulaC28H31N5O4
  • Average mass501.577 Da
  • Monoisotopic mass501.237610 Da
  • ChemSpider ID17518047

More details:

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

{3,5-Bis[(4-methylbenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4,5-trimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
{3,5-Bis[(4-methylbenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4,5-trimethoxyphenyl)methanone [ACD/IUPAC Name]
{3,5-Bis[(4-méthylbenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4,5-triméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3,5-bis[[(4-methylphenyl)methyl]amino]-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)- [ACD/Index Name]
[3,5-Bis-(4-methyl-benzylamino)-[1,2,4]triazol-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
[3,5-bis[(4-methylphenyl)methylamino]-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
768295-31-4 [RN]
N3,N5-bis[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxybenzoyl)-1,2,4-triazole-3,5-diamine
N3,N5-bis[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxybenzoyl)-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: 711.9±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.1±3.0 kJ/mol
    Flash Point: 384.4±35.7 °C
    Index of Refraction: 1.606
    Molar Refractivity: 141.7±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.32
    ACD/LogD (pH 5.5): 4.86
    ACD/BCF (pH 5.5): 2932.57
    ACD/KOC (pH 5.5): 10554.02
    ACD/LogD (pH 7.4): 4.86
    ACD/BCF (pH 7.4): 2933.37
    ACD/KOC (pH 7.4): 10556.90
    Polar Surface Area: 100 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 43.5±7.0 dyne/cm
    Molar Volume: 410.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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