ChemSpider 2D Image | 8-{[4-(Diphenylmethyl)-1-piperazinyl]methyl}-1,3-dimethyl-7-(3-oxo-2-butanyl)-3,7-dihydro-1H-purine-2,6-dione | C29H34N6O3

8-{[4-(Diphenylmethyl)-1-piperazinyl]methyl}-1,3-dimethyl-7-(3-oxo-2-butanyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID11067299

More details:

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

1H-Purine-2,6-dione, 8-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-3,7-dihydro-1,3-dimethyl-7-(1-methyl-2-oxopropyl)- [ACD/Index Name]
8-{[4-(Diphenylmethyl)-1-piperazinyl]methyl}-1,3-dimethyl-7-(3-oxo-2-butanyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-{[4-(Diphenylmethyl)-1-piperazinyl]methyl}-1,3-dimethyl-7-(3-oxo-2-butanyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-{[4-(Diphénylméthyl)-1-pipérazinyl]méthyl}-1,3-diméthyl-7-(3-oxo-2-butanyl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-((4-benzhydrylpiperazin-1-yl)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.3±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 10.80
ACD/KOC (pH 5.5): 136.01
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.69
ACD/KOC (pH 7.4): 437.07
Polar Surface Area: 82 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 403.2±7.0 cm3

Click to predict properties on the Chemicalize site


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