ChemSpider 2D Image | 1-[(2-Ethyl-5-pyrimidinyl)methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decane | C21H26F3N5

1-[(2-Ethyl-5-pyrimidinyl)methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decane

  • Molecular FormulaC21H26F3N5
  • Average mass405.460 Da
  • Monoisotopic mass405.214020 Da
  • ChemSpider ID29714989

More details:

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

1,8-Diazaspiro[4.5]decane, 1-[(2-ethyl-5-pyrimidinyl)methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
1-[(2-Ethyl-5-pyrimidinyl)methyl]-8-[5-(trifluormethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decan [German] [ACD/IUPAC Name]
1-[(2-Ethyl-5-pyrimidinyl)methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decane [ACD/IUPAC Name]
1-[(2-Éthyl-5-pyrimidinyl)méthyl]-8-[5-(trifluorométhyl)-2-pyridinyl]-1,8-diazaspiro[4.5]décane [French] [ACD/IUPAC 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: 507.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.9±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.79
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 60.85
ACD/KOC (pH 7.4): 482.64
Polar Surface Area: 45 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 314.6±5.0 cm3

Click to predict properties on the Chemicalize site


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