ChemSpider 2D Image | 4-[3-(4-Isopropoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1(2H)-phthalazinone | C26H22N4O4

4-[3-(4-Isopropoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1(2H)-phthalazinone

  • Molecular FormulaC26H22N4O4
  • Average mass454.477 Da
  • Monoisotopic mass454.164093 Da
  • ChemSpider ID34499479

More details:

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

1(2H)-Phthalazinone, 4-[3-[3-methoxy-4-(1-methylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-2-phenyl- [ACD/Index Name]
4-[3-(4-Isopropoxy-3-méthoxyphényl)-1,2,4-oxadiazol-5-yl]-2-phényl-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-[3-(4-Isopropoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-[3-(4-Isopropoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenyl-1(2H)-phthalazinone [ACD/IUPAC Name]
[1707728-03-7] [RN]
1707728-03-7 [RN]
4-[3-(3-methoxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1-one
4-[3-(4-Isopropoxy-3-methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-2-phenyl-2H-phthalazin-1-one
4-[3-(4-isopropoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylphthalazin-1(2H)-one
4-{3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}-2-phenyl-1,2-dihydrophthalazin-1-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 657.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.9±3.0 kJ/mol
    Flash Point: 351.7±34.3 °C
    Index of Refraction: 1.654
    Molar Refractivity: 127.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.47
    ACD/LogD (pH 5.5): 4.42
    ACD/BCF (pH 5.5): 1353.80
    ACD/KOC (pH 5.5): 6069.66
    ACD/LogD (pH 7.4): 4.42
    ACD/BCF (pH 7.4): 1353.80
    ACD/KOC (pH 7.4): 6069.66
    Polar Surface Area: 90 Å2
    Polarizability: 50.4±0.5 10-24cm3
    Surface Tension: 48.9±7.0 dyne/cm
    Molar Volume: 347.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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