ChemSpider 2D Image | 2-(4-Chlorophenoxy)-1-(4-{7-[4-(2-methyl-2-propanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-1-piperazinyl)ethanone | C27H29ClN6O2

2-(4-Chlorophenoxy)-1-(4-{7-[4-(2-methyl-2-propanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-1-piperazinyl)ethanone

  • Molecular FormulaC27H29ClN6O2
  • Average mass505.011 Da
  • Monoisotopic mass504.204041 Da
  • ChemSpider ID22747829

More details:

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

2-(4-Chlorophenoxy)-1-(4-{7-[4-(2-methyl-2-propanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
2-(4-Chlorophénoxy)-1-(4-{7-[4-(2-méthyl-2-propanyl)phényl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
2-(4-Chlorphenoxy)-1-(4-{7-[4-(2-methyl-2-propanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(4-chlorophenoxy)-1-[4-[7-[4-(1,1-dimethylethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2397.61
ACD/KOC (pH 5.5): 8929.90
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2597.10
ACD/KOC (pH 7.4): 9672.87
Polar Surface Area: 76 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 386.5±7.0 cm3

Click to predict properties on the Chemicalize site


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