ChemSpider 2D Image | Methyl 4-(4-benzyl-1-piperazinyl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoate | C29H33N3O6

Methyl 4-(4-benzyl-1-piperazinyl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoate

  • Molecular FormulaC29H33N3O6
  • Average mass519.589 Da
  • Monoisotopic mass519.236938 Da
  • ChemSpider ID17520228

More details:

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

4-(4-Benzyl-1-pipérazinyl)-3-[(3,4,5-triméthoxybenzoyl)amino]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-(phenylmethyl)-1-piperazinyl]-3-[(3,4,5-trimethoxybenzoyl)amino]-, methyl ester [ACD/Index Name]
Methyl 4-(4-benzyl-1-piperazinyl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoate [ACD/IUPAC Name]
Methyl 4-(4-benzylpiperazin-1-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoate
Methyl-4-(4-benzyl-1-piperazinyl)-3-[(3,4,5-trimethoxybenzoyl)amino]benzoat [German] [ACD/IUPAC Name]
4-(4-Benzyl-piperazin-1-yl)-3-(3,4,5-trimethoxy-benzoylamino)-benzoic acid methyl ester
792937-35-0 [RN]
methyl 4-(4-benzylpiperazin-1-yl)-3-(3,4,5-trimethoxybenzamido)benzoate
methyl 4-(4-benzylpiperazin-1-yl)-3-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}benzoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 626.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.8±3.0 kJ/mol
    Flash Point: 332.9±31.5 °C
    Index of Refraction: 1.610
    Molar Refractivity: 145.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 4.04
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 147.23
    ACD/KOC (pH 5.5): 839.00
    ACD/LogD (pH 7.4): 3.92
    ACD/BCF (pH 7.4): 561.28
    ACD/KOC (pH 7.4): 3198.51
    Polar Surface Area: 90 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 51.8±3.0 dyne/cm
    Molar Volume: 419.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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