ChemSpider 2D Image | 6-{[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C23H21N7O5

6-{[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

  • Molecular FormulaC23H21N7O5
  • Average mass475.457 Da
  • Monoisotopic mass475.160431 Da
  • ChemSpider ID28969849

More details:

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

6-{[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
6-{[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
6-{[3-(3,5-Diméthoxyphényl)-1,2,4-oxadiazol-5-yl]méthyl}-3-(4-éthoxyphényl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 6-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-ethoxyphenyl)-3,6-dihydro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 739.1±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: 400.8±35.7 °C
Index of Refraction: 1.693
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.33
ACD/KOC (pH 5.5): 473.31
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.33
ACD/KOC (pH 7.4): 473.31
Polar Surface Area: 130 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 325.6±7.0 cm3

Click to predict properties on the Chemicalize site


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