ChemSpider 2D Image | 4,4'-(1,3-Benzodioxol-5-ylmethylene)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) | C30H28N4O4

4,4'-(1,3-Benzodioxol-5-ylmethylene)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)

  • Molecular FormulaC30H28N4O4
  • Average mass508.568 Da
  • Monoisotopic mass508.211060 Da
  • ChemSpider ID2118523

More details:

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

3H-Pyrazol-3-one, 4,4'-(1,3-benzodioxol-5-ylmethylene)bis[1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4,4'-(1,3-Benzodioxol-5-ylmethylen)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on) [German] [ACD/IUPAC Name]
4,4'-(1,3-Benzodioxol-5-ylmethylene)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one) [ACD/IUPAC Name]
4,4'-(1,3-Benzodioxol-5-ylméthylène)bis(1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one) [French] [ACD/IUPAC Name]
185054-02-8 [RN]
4,4'-(1,3-benzodioxol-5-ylmethanediyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
4,4'-(benzo[d][1,3]dioxol-5-ylmethylene)bis(1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one)
4-[1,3-benzodioxol-5-yl(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-[1,3-benzodioxol-5-yl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
4-[2H-benzo[3,4-d]1,3-dioxolen-5-yl(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))methyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A0165/0007391 [DBID]
AF-399/33697030 [DBID]
BAS 00428394 [DBID]
EU-0050701 [DBID]
ZINC04010329 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 635.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.9±3.0 kJ/mol
    Flash Point: 338.1±34.3 °C
    Index of Refraction: 1.663
    Molar Refractivity: 142.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 2.46
    ACD/BCF (pH 5.5): 43.73
    ACD/KOC (pH 5.5): 520.13
    ACD/LogD (pH 7.4): 2.46
    ACD/BCF (pH 7.4): 43.74
    ACD/KOC (pH 7.4): 520.14
    Polar Surface Area: 66 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 56.7±3.0 dyne/cm
    Molar Volume: 384.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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