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Search term: DCOYUNGQGIUHDY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-{2-[4-(1,3-Diethyl-4-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-8-[4-(2-methyl-2-propanyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | C39H52N6O3

3-{2-[4-(1,3-Diethyl-4-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-8-[4-(2-methyl-2-propanyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC39H52N6O3
  • Average mass652.869 Da
  • Monoisotopic mass652.410095 Da
  • ChemSpider ID26377384

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 3-[2-[4-(1,3-diethyl-4-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl]-8-[4-(1,1-dimethylethyl)benzoyl]-1-phenyl- [ACD/Index Name]
3-{2-[4-(1,3-Diethyl-4-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-8-[4-(2-methyl-2-propanyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
3-{2-[4-(1,3-Diethyl-4-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-8-[4-(2-methyl-2-propanyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
3-{2-[4-(1,3-Diéthyl-4-méthyl-1H-pyrazol-5-yl)-1-pipéridinyl]-2-oxoéthyl}-8-[4-(2-méthyl-2-propanyl)benzoyl]-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 850.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 468.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 192.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6569.33
ACD/KOC (pH 5.5): 18733.51
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6651.46
ACD/KOC (pH 7.4): 18967.74
Polar Surface Area: 82 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 543.9±7.0 cm3

Click to predict properties on the Chemicalize site


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