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

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

  • Molecular FormulaC26H22N4O4
  • Average mass454.477 Da
  • Monoisotopic mass454.164093 Da
  • ChemSpider ID25185253

More details:

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

1(2H)-Phthalazinone, 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethylphenyl)- [ACD/Index Name]
4-[3-(3,4-Diméthoxyphényl)-1,2,4-oxadiazol-5-yl]-2-(3,4-diméthylphényl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethylphenyl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethylphenyl)-1(2H)-phthalazinone [ACD/IUPAC Name]
1291858-08-6 [RN]
4-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)-2-(3,4-dimethylphenyl)phthalazin-1(2H)-one
4-[3-(3,4-Dimethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-2-(3,4-dimethyl-phenyl)-2H-phthalazin-1-one
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethylphenyl)-1,2-dihydrophthalazin-1-one
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(3,4-dimethylphenyl)phthalazin-1(2H)-one
MFCD18788844

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

Density: 1.3±0.1 g/cm3
Boiling Point: 694.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1278.03
ACD/KOC (pH 5.5): 5824.54
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1278.03
ACD/KOC (pH 7.4): 5824.54
Polar Surface Area: 90 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 346.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement