ChemSpider 2D Image | 1,3-Dimethyl-7-[2-oxo-2-(4-{[3-(tetrahydro-2H-pyran-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperidinyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione | C22H29N7O5

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

  • Molecular FormulaC22H29N7O5
  • Average mass471.510 Da
  • Monoisotopic mass471.223022 Da
  • ChemSpider ID44217276

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]methyl}-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]methyl}-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]méthyl}-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]methyl]-1-piperidinyl]ethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 756.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.1±35.7 °C
Index of Refraction: 1.728
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.00
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.59
ACD/KOC (pH 5.5): 86.94
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.59
ACD/KOC (pH 7.4): 86.94
Polar Surface Area: 127 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 304.2±7.0 cm3

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