ChemSpider 2D Image | 1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane | C16H22N4O3

1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane

  • Molecular FormulaC16H22N4O3
  • Average mass318.371 Da
  • Monoisotopic mass318.169189 Da
  • ChemSpider ID27444777

More details:

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

1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan [German] [ACD/IUPAC Name]
1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane [ACD/IUPAC Name]
1-{[3-(3,4-Diméthoxyphényl)-1,2,4-oxadiazol-5-yl]méthyl}-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]hexahydro- [ACD/Index Name]
1243100-90-4 [RN]
5-((1,4-Diazepan-1-yl)methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
5-(1,4-diazepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
MFCD15732221 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 476.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 241.9±31.5 °C
    Index of Refraction: 1.541
    Molar Refractivity: 85.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): -1.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 73 Å2
    Polarizability: 33.9±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 272.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement