ChemSpider 2D Image | 3-(4-Ethoxyphenyl)-5,7-dimethyl-9-(2-methylbenzyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione | C24H24N6O3

3-(4-Ethoxyphenyl)-5,7-dimethyl-9-(2-methylbenzyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione

  • Molecular FormulaC24H24N6O3
  • Average mass444.486 Da
  • Monoisotopic mass444.190979 Da
  • ChemSpider ID22218309

More details:

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

3-(4-Ethoxyphenyl)-5,7-dimethyl-9-(2-methylbenzyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6,8(7H)-dion [German] [ACD/IUPAC Name]
3-(4-Ethoxyphenyl)-5,7-dimethyl-9-(2-methylbenzyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione [ACD/IUPAC Name]
3-(4-Éthoxyphényl)-5,7-diméthyl-9-(2-méthylbenzyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione [French] [ACD/IUPAC Name]
6H-1,2,4-Triazolo[4,3-e]purine-6,8(7H)-dione, 3-(4-ethoxyphenyl)-5,9-dihydro-5,7-dimethyl-9-[(2-methylphenyl)methyl]- [ACD/Index Name]
3-(4-ethoxyphenyl)-5,7-dimethyl-9-(2-methylbenzyl)-5H-[1,2,4]triazolo[4,3-e]purine-6,8(7H,9H)-dione
3-(4-ethoxyphenyl)-5,7-dimethyl-9-[(2-methylphenyl)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione
921859-47-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 124.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.58
ACD/KOC (pH 5.5): 1419.73
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.41
ACD/KOC (pH 7.4): 1434.22
Polar Surface Area: 85 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 326.2±7.0 cm3

Click to predict properties on the Chemicalize site


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