ChemSpider 2D Image | 1,3,9-Trimethyl-8-{[3-(4-methyl-1-piperazinyl)-3-oxopropyl]sulfonyl}-3,9-dihydro-1H-purine-2,6-dione | C16H24N6O5S

1,3,9-Trimethyl-8-{[3-(4-methyl-1-piperazinyl)-3-oxopropyl]sulfonyl}-3,9-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC16H24N6O5S
  • Average mass412.464 Da
  • Monoisotopic mass412.152893 Da
  • ChemSpider ID23026777

More details:

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

1,3,9-Trimethyl-8-{[3-(4-methyl-1-piperazinyl)-3-oxopropyl]sulfonyl}-3,9-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1,3,9-Trimethyl-8-{[3-(4-methyl-1-piperazinyl)-3-oxopropyl]sulfonyl}-3,9-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1,3,9-Triméthyl-8-{[3-(4-méthyl-1-pipérazinyl)-3-oxopropyl]sulfonyl}-3,9-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-8-[[3-(4-methyl-1-piperazinyl)-3-oxopropyl]sulfonyl]- [ACD/Index Name]
1,3,9-Trimethyl-8-[3-(4-methyl-piperazin-1-yl)-3-oxo-propane-1-sulfonyl]-3,9-dihydro-purine-2,6-dione
1,3,9-trimethyl-8-{[3-(4-methylpiperazin-1-yl)-3-oxopropyl]sulfonyl}-3,9-dihydro-1H-purine-2,6-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 663.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.3±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.99
Polar Surface Area: 125 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 271.9±7.0 cm3

Click to predict properties on the Chemicalize site


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