ChemSpider 2D Image | (5S)-5-({[(1S,2R,3R)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenylcyclopentyl]amino}methyl)-2-pyrrolidinone | C25H26F6N2O2

(5S)-5-({[(1S,2R,3R)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenylcyclopentyl]amino}methyl)-2-pyrrolidinone

  • Molecular FormulaC25H26F6N2O2
  • Average mass500.477 Da
  • Monoisotopic mass500.189850 Da
  • ChemSpider ID23274747

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S)-5-({[(1S,2R,3R)-3-{[3,5-Bis(trifluormethyl)benzyl]oxy}-2-phenylcyclopentyl]amino}methyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
(5S)-5-({[(1S,2R,3R)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenylcyclopentyl]amino}methyl)-2-pyrrolidinone [ACD/IUPAC Name]
(5S)-5-({[(1S,2R,3R)-3-{[3,5-Bis(trifluorométhyl)benzyl]oxy}-2-phénylcyclopentyl]amino}méthyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
(5S)-5-({[(1S,2R,3R)-3-{[3,5-bis(trifluoromethyl)benzyl]oxy}-2-phenylcyclopentyl]amino}methyl)pyrrolidin-2-one
2-Pyrrolidinone, 5-[[[(1S,2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]amino]methyl]-, (5S)- [ACD/Index Name]
(5S)-5-({[(1S,2R,3R)-3-{[3,5-bis(trifluoromethyl)phenyl]methoxy}-2-phenylcyclopentyl]amino}methyl)pyrrolidin-2-one
CHEMBL214435
trans-(S)-5-((3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentylamino)methyl)pyrrolidin-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.3±30.1 °C
Index of Refraction: 1.539
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 7.14
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 50.80
ACD/KOC (pH 7.4): 247.32
Polar Surface Area: 50 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 374.4±5.0 cm3

Click to predict properties on the Chemicalize site


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