ChemSpider 2D Image | 9-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-(4-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane | C23H32FN3O

9-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-(4-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane

  • Molecular FormulaC23H32FN3O
  • Average mass385.518 Da
  • Monoisotopic mass385.252930 Da
  • ChemSpider ID79736034

More details:

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

1-Oxa-9-azaspiro[5.5]undecane, 9-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methyl]- [ACD/Index Name]
9-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-(4-fluorbenzyl)-1-oxa-9-azaspiro[5.5]undecan [German] [ACD/IUPAC Name]
9-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-(4-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane [ACD/IUPAC Name]
9-[(1-Éthyl-5-méthyl-1H-pyrazol-4-yl)méthyl]-4-(4-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undécane [French] [ACD/IUPAC Name]
9-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.0±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: 261.0±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 10.22
ACD/KOC (pH 5.5): 30.07
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 411.28
ACD/KOC (pH 7.4): 1209.86
Polar Surface Area: 30 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 327.9±7.0 cm3

Click to predict properties on the Chemicalize site


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