ChemSpider 2D Image | (1s,4s)-2-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]-2-azabicyclo[2.2.2]octane | C25H29N3O

(1s,4s)-2-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]-2-azabicyclo[2.2.2]octane

  • Molecular FormulaC25H29N3O
  • Average mass387.517 Da
  • Monoisotopic mass387.231049 Da
  • ChemSpider ID28528350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1s,4s)-2-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]-2-azabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
(1s,4s)-2-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]-2-azabicyclo[2.2.2]octane [ACD/IUPAC Name]
(1s,4s)-2-[3-(5-Méthyl-1,3,4-oxadiazol-2-yl)-3,3-diphénylpropyl]-2-azabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
2-Azabicyclo[2.2.2]octane, 2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl]- [ACD/Index Name]
57726-65-5 [RN]
nufenoxole

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.1±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 13.82
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 43.70
ACD/KOC (pH 7.4): 135.26
Polar Surface Area: 42 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 341.4±3.0 cm3

Click to predict properties on the Chemicalize site


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