ChemSpider 2D Image | N-{3-[4-(4-Fluorophenyl)-1-piperazinyl]propyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide | C25H32FN7O2

N-{3-[4-(4-Fluorophenyl)-1-piperazinyl]propyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide

  • Molecular FormulaC25H32FN7O2
  • Average mass481.566 Da
  • Monoisotopic mass481.260162 Da
  • ChemSpider ID29008584

More details:

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

4H-Azepino[1,2-e]purine-3(6H)-acetamide, N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-7,8,9,10-tetrahydro-4-oxo- [ACD/Index Name]
N-{3-[4-(4-Fluorophenyl)-1-piperazinyl]propyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamide [ACD/IUPAC Name]
N-{3-[4-(4-Fluorophényl)-1-pipérazinyl]propyl}-2-(4-oxo-7,8,9,10-tétrahydro-4H-azépino[1,2-e]purin-3(6H)-yl)acétamide [French] [ACD/IUPAC Name]
N-{3-[4-(4-Fluorphenyl)-1-piperazinyl]propyl}-2-(4-oxo-7,8,9,10-tetrahydro-4H-azepino[1,2-e]purin-3(6H)-yl)acetamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 37.58
Polar Surface Area: 86 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 346.8±7.0 cm3

Click to predict properties on the Chemicalize site


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