ChemSpider 2D Image | (4S,5R,8S)-8-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-4-hydroxy-8-phenyl-1,7-diazaspiro[4.5]decan-2-one | C25H26F6N2O3

(4S,5R,8S)-8-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-4-hydroxy-8-phenyl-1,7-diazaspiro[4.5]decan-2-one

  • Molecular FormulaC25H26F6N2O3
  • Average mass516.476 Da
  • Monoisotopic mass516.184753 Da
  • ChemSpider ID81368006

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,5R,8S)-8-({(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}methyl)-4-hydroxy-8-phenyl-1,7-diazaspiro[4.5]decan-2-on [German] [ACD/IUPAC Name]
(4S,5R,8S)-8-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-4-hydroxy-8-phenyl-1,7-diazaspiro[4.5]decan-2-one [ACD/IUPAC Name]
(4S,5R,8S)-8-({(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}méthyl)-4-hydroxy-8-phényl-1,7-diazaspiro[4.5]décan-2-one [French] [ACD/IUPAC Name]
1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-4-hydroxy-8-phenyl-, (4S,5R,8S)- [ACD/Index Name]
2238886-63-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.2±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 6.82
ACD/KOC (pH 5.5): 34.36
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 316.82
ACD/KOC (pH 7.4): 1596.58
Polar Surface Area: 71 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 371.2±5.0 cm3

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