ChemSpider 2D Image | LY2828360 | C22H27ClN6O

LY2828360

  • Molecular FormulaC22H27ClN6O
  • Average mass426.942 Da
  • Monoisotopic mass426.193481 Da
  • ChemSpider ID31104907

More details:

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

1231220-79-3 [RN]
8-(2-Chlorophenyl)-2-methyl-6-(4-methyl-1-piperazinyl)-9-(tetrahydro-2H-pyran-4-yl)-9H-purine [ACD/IUPAC Name]
8-(2-Chlorophényl)-2-méthyl-6-(4-méthyl-1-pipérazinyl)-9-(tétrahydro-2H-pyran-4-yl)-9H-purine [French] [ACD/IUPAC Name]
8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)-9H-purine
8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine
8-(2-Chlorphenyl)-2-methyl-6-(4-methyl-1-piperazinyl)-9-(tetrahydro-2H-pyran-4-yl)-9H-purin [German] [ACD/IUPAC Name]
9H-Purine, 8-(2-chlorophenyl)-2-methyl-6-(4-methyl-1-piperazinyl)-9-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
Ly-2828360
LY2828360
8-(2-Chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(tetrahydro-2H-pyran-4-yl)-9H-purine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 541.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 11.78
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 58.35
ACD/KOC (pH 7.4): 558.11
Polar Surface Area: 59 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 304.5±7.0 cm3

Click to predict properties on the Chemicalize site


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