ChemSpider 2D Image | 8-[(4-Fluorophenyl)sulfanyl]-7-{3-[(4-fluorophenyl)sulfanyl]propyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione | C21H18F2N4O2S2

8-[(4-Fluorophenyl)sulfanyl]-7-{3-[(4-fluorophenyl)sulfanyl]propyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC21H18F2N4O2S2
  • Average mass460.520 Da
  • Monoisotopic mass460.083923 Da
  • ChemSpider ID30790232

More details:

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

1H-Purine-2,6-dione, 8-[(4-fluorophenyl)thio]-7-[3-[(4-fluorophenyl)thio]propyl]-3,7-dihydro-3-methyl- [ACD/Index Name]
8-[(4-Fluorophenyl)sulfanyl]-7-{3-[(4-fluorophenyl)sulfanyl]propyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(4-Fluorophényl)sulfanyl]-7-{3-[(4-fluorophényl)sulfanyl]propyl}-3-méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-[(4-Fluorphenyl)sulfanyl]-7-{3-[(4-fluorphenyl)sulfanyl]propyl}-3-methyl-3,7-dihydro-1H-purin-2,6-dion [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 120.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2519.15
ACD/KOC (pH 5.5): 9466.67
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2493.30
ACD/KOC (pH 7.4): 9369.52
Polar Surface Area: 118 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 315.9±7.0 cm3

Click to predict properties on the Chemicalize site


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