ChemSpider 2D Image | 7-(2-{4-[2-(2-Isopropyl-1H-imidazol-1-yl)ethyl]-1-piperazinyl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C21H30N8O3

7-(2-{4-[2-(2-Isopropyl-1H-imidazol-1-yl)ethyl]-1-piperazinyl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID39388210

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[4-[2-[2-(1-methylethyl)-1H-imidazol-1-yl]ethyl]-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
7-(2-{4-[2-(2-Isopropyl-1H-imidazol-1-yl)ethyl]-1-piperazinyl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-(2-{4-[2-(2-Isopropyl-1H-imidazol-1-yl)ethyl]-1-piperazinyl}-2-oxoethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-(2-{4-[2-(2-Isopropyl-1H-imidazol-1-yl)éthyl]-1-pipérazinyl}-2-oxoéthyl)-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-(2-(4-(2-(2-isopropyl-1H-imidazol-1-yl)ethyl)piperazin-1-yl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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: 720.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.5±35.7 °C
Index of Refraction: 1.682
Molar Refractivity: 120.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.71
Polar Surface Area: 100 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 318.8±7.0 cm3

Click to predict properties on the Chemicalize site


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