Found 1 result

Search term: ODKIIRGGBWEQPE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 8-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione | C25H26N6O6S

8-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC25H26N6O6S
  • Average mass538.576 Da
  • Monoisotopic mass538.163452 Da
  • ChemSpider ID24700537

More details:

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

1H-Purine-2,6-dione, 8-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1-ethyl-3,7-dihydro- [ACD/Index Name]
8-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenyl)-1-ethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenyl)-1-ethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(4-{[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]sulfonyl}phényl)-1-éthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL483065/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 11.79
ACD/KOC (pH 5.5): 178.90
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 10.43
ACD/KOC (pH 7.4): 158.31
Polar Surface Area: 146 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 366.6±3.0 cm3

Click to predict properties on the Chemicalize site


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