ChemSpider 2D Image | (2Z)-2-(1,3-Benzoxazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-phenyl-2-propen-1-one | C33H25N3O3

(2Z)-2-(1,3-Benzoxazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-phenyl-2-propen-1-one

  • Molecular FormulaC33H25N3O3
  • Average mass511.570 Da
  • Monoisotopic mass511.189606 Da
  • ChemSpider ID12235091

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(1,3-Benzoxazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-2-(1,3-Benzoxazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2Z)-2-(1,3-Benzoxazol-2-yl)-3-[3-(4-éthoxyphényl)-1-phényl-1H-pyrazol-4-yl]-1-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 2-(2-benzoxazolyl)-3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-phenyl-, (2Z)- [ACD/Index Name]
(2Z)-2-(1,3-benzoxazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-phenylprop-2-en-1-one
(2Z)-2-benzoxazol-2-yl-3-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
(Z)-2-(1,3-benzoxazol-2-yl)-3-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
955896-97-6 [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: 711.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.0±3.0 kJ/mol
    Flash Point: 384.0±35.7 °C
    Index of Refraction: 1.645
    Molar Refractivity: 152.9±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 8.30
    ACD/LogD (pH 5.5): 6.34
    ACD/BCF (pH 5.5): 38944.10
    ACD/KOC (pH 5.5): 67207.66
    ACD/LogD (pH 7.4): 6.34
    ACD/BCF (pH 7.4): 38944.91
    ACD/KOC (pH 7.4): 67209.07
    Polar Surface Area: 70 Å2
    Polarizability: 60.6±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 421.6±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement