ChemSpider 2D Image | 8-{4-[(4-Benzyl-1-piperazinyl)sulfonyl]phenyl}-1-propyl-3,7-dihydro-1H-purine-2,6-dione | C25H28N6O4S

8-{4-[(4-Benzyl-1-piperazinyl)sulfonyl]phenyl}-1-propyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC25H28N6O4S
  • Average mass508.593 Da
  • Monoisotopic mass508.189270 Da
  • ChemSpider ID9780639

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-8-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1-propyl- [ACD/Index Name]
1H-purine-2,6-dione, 3,9-dihydro-8-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1-propyl-
8-{4-[(4-Benzyl-1-piperazinyl)sulfonyl]phenyl}-1-propyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-{4-[(4-Benzyl-1-piperazinyl)sulfonyl]phenyl}-1-propyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-{4-[(4-Benzyl-1-pipérazinyl)sulfonyl]phényl}-1-propyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-{4-[(4-benzylpiperazin-1-yl)sulfonyl]phenyl}-1-propyl-3,9-dihydro-1H-purine-2,6-dione
8-(4-((4-benzylpiperazin-1-yl)sulfonyl)phenyl)-1-propyl-1H-purine-2,6(3H,9H)-dione
8-[4-(4-benzylpiperazide-1-sulfonyl)phenyl]-1-propylxanthine
905311-24-2 [RN]
CHEMBL212625
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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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 31.50
ACD/KOC (pH 5.5): 361.49
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 28.08
ACD/KOC (pH 7.4): 322.23
Polar Surface Area: 127 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 372.0±3.0 cm3

Click to predict properties on the Chemicalize site


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