ChemSpider 2D Image | {3,5-Bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4,5-trimethoxyphenyl)methanone | C30H35N5O6

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

  • Molecular FormulaC30H35N5O6
  • Average mass561.629 Da
  • Monoisotopic mass561.258728 Da
  • ChemSpider ID17518086

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}(3,4,5-trimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
{3,5-Bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4,5-trimethoxyphenyl)methanone [ACD/IUPAC Name]
{3,5-Bis[(4-éthoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4,5-triméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3,5-bis[[(4-ethoxyphenyl)methyl]amino]-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)- [ACD/Index Name]
[3,5-Bis-(4-ethoxy-benzylamino)-[1,2,4]triazol-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
[3,5-bis[(4-ethoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
765929-82-6 [RN]
N3,N5-bis[(4-ethoxyphenyl)methyl]-1-(3,4,5-trimethoxybenzoyl)-1,2,4-triazole-3,5-diamine
N3,N5-bis[(4-ethoxyphenyl)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: 752.7±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.7±3.0 kJ/mol
    Flash Point: 409.0±35.7 °C
    Index of Refraction: 1.590
    Molar Refractivity: 153.7±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 2
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 3
    ACD/LogP: 5.29
    ACD/LogD (pH 5.5): 4.80
    ACD/BCF (pH 5.5): 2637.48
    ACD/KOC (pH 5.5): 9782.43
    ACD/LogD (pH 7.4): 4.80
    ACD/BCF (pH 7.4): 2638.23
    ACD/KOC (pH 7.4): 9785.24
    Polar Surface Area: 118 Å2
    Polarizability: 60.9±0.5 10-24cm3
    Surface Tension: 43.6±7.0 dyne/cm
    Molar Volume: 455.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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