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Search term: BQOUNBUXAYULOB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1,3-Dimethyl-7-(2-oxo-2-{4-[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}ethyl)-3,7-dihydro-1H-purine-2,6-dione | C21H27N7O5

1,3-Dimethyl-7-(2-oxo-2-{4-[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}ethyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC21H27N7O5
  • Average mass457.483 Da
  • Monoisotopic mass457.207367 Da
  • ChemSpider ID44228158

More details:






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

1,3-Dimethyl-7-(2-oxo-2-{4-[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}ethyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1,3-Dimethyl-7-(2-oxo-2-{4-[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}ethyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1,3-Diméthyl-7-(2-oxo-2-{4-[3-(tétrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]-1-pipéridinyl}éthyl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-oxo-2-[4-[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 752.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 408.9±35.7 °C
Index of Refraction: 1.743
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.28
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 54.88
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 54.88
Polar Surface Area: 127 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 288.1±7.0 cm3

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