ChemSpider 2D Image | 4-(4-Benzyl-1-piperazinyl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline | C30H34N4O4

4-(4-Benzyl-1-piperazinyl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline

  • Molecular FormulaC30H34N4O4
  • Average mass514.615 Da
  • Monoisotopic mass514.257996 Da
  • ChemSpider ID3053850

More details:

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

4-(4-Benzyl-1-piperazinyl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxychinazolin [German] [ACD/IUPAC Name]
4-(4-Benzyl-1-piperazinyl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline [ACD/IUPAC Name]
4-(4-Benzyl-1-pipérazinyl)-2-(3,4-diméthoxyphényl)-7-éthoxy-6-méthoxyquinazoline [French] [ACD/IUPAC Name]
Quinazoline, 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
4-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline
799823-77-1 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 599.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.3±3.0 kJ/mol
    Flash Point: 316.4±30.1 °C
    Index of Refraction: 1.611
    Molar Refractivity: 149.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.92
    ACD/LogD (pH 5.5): 1.59
    ACD/BCF (pH 5.5): 2.48
    ACD/KOC (pH 5.5): 13.61
    ACD/LogD (pH 7.4): 3.09
    ACD/BCF (pH 7.4): 78.20
    ACD/KOC (pH 7.4): 428.92
    Polar Surface Area: 69 Å2
    Polarizability: 59.1±0.5 10-24cm3
    Surface Tension: 50.3±3.0 dyne/cm
    Molar Volume: 429.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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