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

2-(4-Ethoxyphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1(2H)-phthalazinone

  • Molecular FormulaC26H22N4O4
  • Average mass454.477 Da
  • Monoisotopic mass454.164093 Da
  • ChemSpider ID25185168

More details:

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

1(2H)-Phthalazinone, 2-(4-ethoxyphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]
2-(4-Éthoxyphényl)-4-[3-(4-éthoxyphényl)-1,2,4-oxadiazol-5-yl]-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
2-(4-Ethoxyphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
2-(4-Ethoxyphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1(2H)-phthalazinone [ACD/IUPAC Name]
1291844-60-4 [RN]
2-(4-ethoxyphenyl)-4-(3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl)phthalazin-1(2H)-one
2-(4-Ethoxy-phenyl)-4-[3-(4-ethoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-2H-phthalazin-1-one
2-(4-ethoxyphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2-dihydrophthalazin-1-one
2-(4-ethoxyphenyl)-4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]phthalazin-1(2H)-one
MFCD18788769

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.1±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 837.37
ACD/KOC (pH 5.5): 4303.53
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 837.37
ACD/KOC (pH 7.4): 4303.53
Polar Surface Area: 90 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 348.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement