ChemSpider 2D Image | 3-[4-(Benzyloxy)phenyl]-9-(2-methoxyethyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione | C23H22N6O4

3-[4-(Benzyloxy)phenyl]-9-(2-methoxyethyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione

  • Molecular FormulaC23H22N6O4
  • Average mass446.459 Da
  • Monoisotopic mass446.170258 Da
  • ChemSpider ID22218326

More details:

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

3-[4-(Benzyloxy)phenyl]-9-(2-methoxyethyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6,8(7H)-dion [German] [ACD/IUPAC Name]
3-[4-(Benzyloxy)phenyl]-9-(2-methoxyethyl)-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione [ACD/IUPAC Name]
3-[4-(Benzyloxy)phényl]-9-(2-méthoxyéthyl)-5-méthyl-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, 5,9-dihydro-9-(2-methoxyethyl)-5-methyl-3-[4-(phenylmethoxy)phenyl]- [ACD/Index Name]
3-(4-(benzyloxy)phenyl)-9-(2-methoxyethyl)-5-methyl-5H-[1,2,4]triazolo[4,3-e]purine-6,8(7H,9H)-dione
3-[4-(benzyloxy)phenyl]-9-(2-methoxyethyl)-5-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione

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: 1.702
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 103 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 312.2±7.0 cm3

Click to predict properties on the Chemicalize site


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