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ChemSpider 2D Image | 1-Azabicyclo[2.2.2]oct-3-yl (2S)-[4-(3-fluoropropyl)phenyl](hydroxy)phenylacetate | C24H28FNO3

1-Azabicyclo[2.2.2]oct-3-yl (2S)-[4-(3-fluoropropyl)phenyl](hydroxy)phenylacetate

  • Molecular FormulaC24H28FNO3
  • Average mass397.482 Da
  • Monoisotopic mass397.205322 Da
  • ChemSpider ID23142477
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2S)-[4-(3-Fluoropropyl)phényl](hydroxy)phénylacétate de 1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl (2S)-[4-(3-fluoropropyl)phenyl](hydroxy)phenylacetate [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl-(2S)-[4-(3-fluorpropyl)phenyl](hydroxy)phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(3-fluoropropyl)-α-hydroxy-α-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester, (αS)- [ACD/Index Name]
(S)-[4-(3-Fluoro-propyl)-phenyl]-hydroxy-phenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 495.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.7±24.6 °C
Index of Refraction: 1.603
Molar Refractivity: 110.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.02
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 22.62
ACD/KOC (pH 7.4): 137.63
Polar Surface Area: 50 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 321.2±5.0 cm3

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