ChemSpider 2D Image | 8-{[7-(4-Ethyl-1-piperazinyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane | C20H31N7O2

8-{[7-(4-Ethyl-1-piperazinyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

  • Molecular FormulaC20H31N7O2
  • Average mass401.506 Da
  • Monoisotopic mass401.253937 Da
  • ChemSpider ID29084639

More details:

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

1,4-Dioxa-8-azaspiro[4.5]decane, 8-[[7-(4-ethyl-1-piperazinyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]- [ACD/Index Name]
8-{[7-(4-Ethyl-1-piperazinyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decan [German] [ACD/IUPAC Name]
8-{[7-(4-Ethyl-1-piperazinyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane [ACD/IUPAC Name]
8-{[7-(4-Éthyl-1-pipérazinyl)-5-méthyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]méthyl}-1,4-dioxa-8-azaspiro[4.5]décane [French] [ACD/IUPAC Name]
8-{[7-(4-ethylpiperazin-1-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

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: 1.696
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 13.12
ACD/KOC (pH 7.4): 150.01
Polar Surface Area: 71 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 285.7±7.0 cm3

Click to predict properties on the Chemicalize site


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