ChemSpider 2D Image | 8-(4-{[4-(4-Chlorobenzyl)-1-piperazinyl]sulfonyl}phenyl)-1-propyl-1H-purine-2,6-dione | C25H25ClN6O4S

8-(4-{[4-(4-Chlorobenzyl)-1-piperazinyl]sulfonyl}phenyl)-1-propyl-1H-purine-2,6-dione

  • Molecular FormulaC25H25ClN6O4S
  • Average mass541.022 Da
  • Monoisotopic mass540.134644 Da
  • ChemSpider ID90668291

More details:

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

1H-Purine-2,6-dione, 8-[4-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]-1-propyl- [ACD/Index Name]
8-(4-{[4-(4-Chlorbenzyl)-1-piperazinyl]sulfonyl}phenyl)-1-propyl-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(4-{[4-(4-Chlorobenzyl)-1-piperazinyl]sulfonyl}phenyl)-1-propyl-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(4-{[4-(4-Chlorobenzyl)-1-pipérazinyl]sulfonyl}phényl)-1-propyl-1H-purine-2,6-dione [French] [ACD/IUPAC 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: 655.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.2±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.20
ACD/KOC (pH 5.5): 204.75
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.10
ACD/KOC (pH 7.4): 265.33
Polar Surface Area: 123 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 361.7±7.0 cm3

Click to predict properties on the Chemicalize site


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