ChemSpider 2D Image | 8-(4-Chloro-2-cyclohexylphenoxy)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | C26H25Cl2FN4O3

8-(4-Chloro-2-cyclohexylphenoxy)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC26H25Cl2FN4O3
  • Average mass531.406 Da
  • Monoisotopic mass530.128784 Da
  • ChemSpider ID3139205

More details:

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

1H-Purine-2,6-dione, 8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl- [ACD/Index Name]
8-(4-Chlor-2-cyclohexylphenoxy)-7-(2-chlor-6-fluorbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(4-Chloro-2-cyclohexylphenoxy)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(4-Chloro-2-cyclohexylphénoxy)-7-(2-chloro-6-fluorobenzyl)-1,3-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-(4-Chloro-2-cyclohexyl-phenoxy)-7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-(4-chloro-2-cyclohexylphenoxy)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione

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

A3306/0140518 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 667.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.6±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 136.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 53705.84
ACD/KOC (pH 5.5): 84592.33
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 53705.84
ACD/KOC (pH 7.4): 84592.33
Polar Surface Area: 68 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 365.9±7.0 cm3

Click to predict properties on the Chemicalize site


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