ChemSpider 2D Image | 9-(2-{4-[2-(4-Morpholinyl)ethoxy]phenyl}ethyl)-1,3-dipropyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione | C28H40N6O4

9-(2-{4-[2-(4-Morpholinyl)ethoxy]phenyl}ethyl)-1,3-dipropyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

  • Molecular FormulaC28H40N6O4
  • Average mass524.655 Da
  • Monoisotopic mass524.311096 Da
  • ChemSpider ID58874011

More details:

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

9-(2-{4-[2-(4-Morpholinyl)ethoxy]phenyl}ethyl)-1,3-dipropyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
9-(2-{4-[2-(4-Morpholinyl)ethoxy]phenyl}ethyl)-1,3-dipropyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione [ACD/IUPAC Name]
9-(2-{4-[2-(4-Morpholinyl)éthoxy]phényl}éthyl)-1,3-dipropyl-6,7,8,9-tétrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
Pyrimido[2,1-f]purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-9-[2-[4-[2-(4-morpholinyl)ethoxy]phenyl]ethyl]-1,3-dipropyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.8±35.7 °C
Index of Refraction: 1.640
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 36.52
ACD/KOC (pH 5.5): 229.83
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 366.46
ACD/KOC (pH 7.4): 2306.01
Polar Surface Area: 83 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 404.6±7.0 cm3

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