ChemSpider 2D Image | 6-Butyl-8-(4-fluorophenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione | C25H24FN5O2

6-Butyl-8-(4-fluorophenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione

  • Molecular FormulaC25H24FN5O2
  • Average mass445.489 Da
  • Monoisotopic mass445.191406 Da
  • ChemSpider ID22798145

More details:

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

1H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 6-butyl-8-(4-fluorophenyl)-1,3-dimethyl-7-phenyl- [ACD/Index Name]
6-Butyl-8-(4-fluorophenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione [ACD/IUPAC Name]
6-Butyl-8-(4-fluorophényl)-1,3-diméthyl-7-phényl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione [French] [ACD/IUPAC Name]
6-Butyl-8-(4-fluorphenyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purin-2,4(3H,8H)-dion [German] [ACD/IUPAC Name]
3-Butyl-1-(4-fluoro-phenyl)-5,7-dimethyl-2-phenyl-1H,7H-1,3a,5,7,8-pentaaza-cyclopenta[a]indene-4,6-dione
6-butyl-8-(4-fluorophenyl)-1,3-dimethyl-7-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.0±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 891.58
ACD/KOC (pH 5.5): 3004.71
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3553.95
ACD/KOC (pH 7.4): 11977.13
Polar Surface Area: 63 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 334.8±7.0 cm3

Click to predict properties on the Chemicalize site


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