ChemSpider 2D Image | 3-(5-Bromo-2-methoxyphenyl)-9-isopropyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione | C17H17BrN6O3

3-(5-Bromo-2-methoxyphenyl)-9-isopropyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione

  • Molecular FormulaC17H17BrN6O3
  • Average mass433.259 Da
  • Monoisotopic mass432.054535 Da
  • ChemSpider ID22218288

More details:

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

3-(5-Brom-2-methoxyphenyl)-9-isopropyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6,8(7H)-dion [German] [ACD/IUPAC Name]
3-(5-Bromo-2-methoxyphenyl)-9-isopropyl-5-methyl-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione [ACD/IUPAC Name]
3-(5-Bromo-2-méthoxyphényl)-9-isopropyl-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, 3-(5-bromo-2-methoxyphenyl)-5,9-dihydro-5-methyl-9-(1-methylethyl)- [ACD/Index Name]
3-(5-bromo-2-methoxyphenyl)-5-methyl-9-(propan-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[3,4-h]purine-6,8-dione
3-(5-bromo-2-methoxyphenyl)-9-isopropyl-5-methyl-5H-[1,2,4]triazolo[4,3-e]purine-6,8(7H,9H)-dione

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.753
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
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: 94 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 248.8±7.0 cm3

Click to predict properties on the Chemicalize site


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