ChemSpider 2D Image | 4-[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)-1(2H)-phthalazinone | C25H20N4O4

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

  • Molecular FormulaC25H20N4O4
  • Average mass440.451 Da
  • Monoisotopic mass440.148468 Da
  • ChemSpider ID25185152

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-(3-methylphenyl)- [ACD/Index Name]
4-[3-(3,5-Diméthoxyphényl)-1,2,4-oxadiazol-5-yl]-2-(3-méthylphényl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)-1(2H)-phthalazinone [ACD/IUPAC Name]
[1291868-99-9] [RN]
1291868-99-9 [RN]
4-(3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)-2-(m-tolyl)phthalazin-1(2H)-one
4-[3-(3,5-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-2-m-tolyl-2H-phthalazin-1-one
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)-1,2-dihydrophthalazin-1-one
4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)phthalazin-1(2H)-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: 687.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.7±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 865.77
ACD/KOC (pH 5.5): 4407.52
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 865.77
ACD/KOC (pH 7.4): 4407.52
Polar Surface Area: 90 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 331.2±7.0 cm3

Click to predict properties on the Chemicalize site


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