ChemSpider 2D Image | 2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-N-[2-(4-fluorophenyl)-1H-benzimidazol-5-yl]acetamide | C22H18FN7O3

2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-N-[2-(4-fluorophenyl)-1H-benzimidazol-5-yl]acetamide

  • Molecular FormulaC22H18FN7O3
  • Average mass447.422 Da
  • Monoisotopic mass447.145508 Da
  • ChemSpider ID31603815

More details:

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

1H-Purine-1-acetamide, N-[2-(4-fluorophenyl)-1H-benzimidazol-5-yl]-2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo- [ACD/Index Name]
2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-N-[2-(4-fluorophenyl)-1H-benzimidazol-5-yl]acetamide [ACD/IUPAC Name]
2-(3,7-Diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-1-yl)-N-[2-(4-fluorophényl)-1H-benzimidazol-5-yl]acétamide [French] [ACD/IUPAC Name]
2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-N-[2-(4-fluorphenyl)-1H-benzimidazol-5-yl]acetamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 22.92
ACD/KOC (pH 5.5): 315.43
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.11
ACD/KOC (pH 7.4): 359.33
Polar Surface Area: 116 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 288.0±7.0 cm3

Click to predict properties on the Chemicalize site


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