ChemSpider 2D Image | trans-4-[(1S)-2-(6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexanol | C18H21FN2O2

trans-4-[(1S)-2-(6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexanol

  • Molecular FormulaC18H21FN2O2
  • Average mass316.370 Da
  • Monoisotopic mass316.158691 Da
  • ChemSpider ID58805589

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

5H-Imidazo[5,1-a]isoindole-5-ethanol, 6-fluoro-α-(trans-4-hydroxycyclohexyl)-, (αS)- [ACD/Index Name]
trans-4-[(1S)-2-(6-Fluor-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexanol [German] [ACD/IUPAC Name]
trans-4-[(1S)-2-(6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexanol [ACD/IUPAC Name]
trans-4-[(1S)-2-(6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyéthyl]cyclohexanol [French] [ACD/IUPAC Name]
1402837-66-4 [RN]
1402837-78-8 [RN]
D11255
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4476312/
Navoximod (USAN/INN)
Trans-4-(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl)cyclohexanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.7±25.9 °C
Index of Refraction: 1.683
Molar Refractivity: 83.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 9.50
ACD/KOC (pH 5.5): 137.92
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.33
ACD/KOC (pH 7.4): 309.64
Polar Surface Area: 58 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 221.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement