ChemSpider 2D Image | 3-Butyl-8-({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7-ethyl-3,7-dihydro-1H-purine-2,6-dione | C21H24ClN7O2S

3-Butyl-8-({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7-ethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC21H24ClN7O2S
  • Average mass473.979 Da
  • Monoisotopic mass473.140076 Da
  • ChemSpider ID69829108

More details:

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

1H-Purine-2,6-dione, 3-butyl-8-[[[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-3,7-dihydro- [ACD/Index Name]
3-Butyl-8-({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7-ethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
3-Butyl-8-({[5-(4-chlorophényl)-4-méthyl-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-7-éthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
3-Butyl-8-({[5-(4-chlorphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-7-ethyl-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: 1.713
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 382.41
ACD/KOC (pH 5.5): 2455.65
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 380.33
ACD/KOC (pH 7.4): 2442.32
Polar Surface Area: 123 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 323.3±7.0 cm3

Click to predict properties on the Chemicalize site


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