ChemSpider 2D Image | 1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione | C23H22N6O6

1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

  • Molecular FormulaC23H22N6O6
  • Average mass478.457 Da
  • Monoisotopic mass478.160095 Da
  • ChemSpider ID26310706

More details:

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

1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazol-4,6(1H,5H)-dion [German] [ACD/IUPAC Name]
1-{[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione [ACD/IUPAC Name]
1-{[3-(3,4-Diméthoxyphényl)-1,2,4-oxadiazol-5-yl]méthyl}-5-(4-éthoxyphényl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione [French] [ACD/IUPAC Name]
Pyrrolo[3,4-d]-1,2,3-triazole-4,6(1H,5H)-dione, 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-ethoxyphenyl)-3a,6a-dihydro- [ACD/Index Name]
1-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-5-(4-ethoxyphenyl)-1,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(3aH,5H)-dione
1-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1h,5h)-dione
1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
1207013-97-5 [RN]
3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
MFCD05713480

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

Density: 1.5±0.1 g/cm3
Boiling Point: 739.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.7±35.7 °C
Index of Refraction: 1.698
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.13
ACD/KOC (pH 5.5): 699.30
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.13
ACD/KOC (pH 7.4): 699.30
Polar Surface Area: 132 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 318.2±7.0 cm3

Click to predict properties on the Chemicalize site


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