ChemSpider 2D Image | 4-[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)-1(2H)-phthalazinone | C25H20N4O5

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

  • Molecular FormulaC25H20N4O5
  • Average mass456.450 Da
  • Monoisotopic mass456.143372 Da
  • ChemSpider ID25185120

More details:

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

1(2H)-Phthalazinone, 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)- [ACD/Index Name]
4-[3-(3,5-Diméthoxyphényl)-1,2,4-oxadiazol-5-yl]-2-(4-méthoxyphényl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)-1(2H)-phthalazinone [ACD/IUPAC Name]
1207059-18-4 [RN]
4-(3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)-2-(4-methoxyphenyl)phthalazin-1(2H)-one
4-[3-(3,5-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-2-(4-methoxy-phenyl)-2H-phthalazin-1-one
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)-1,2-dihydrophthalazin-1-one
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)phthalazin-1(2H)-one
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(4-methoxyphenyl)phthalazin-1-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 703.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.1±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 472.29
ACD/KOC (pH 5.5): 2856.30
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 472.29
ACD/KOC (pH 7.4): 2856.31
Polar Surface Area: 99 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 337.6±7.0 cm3

Click to predict properties on the Chemicalize site


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