ChemSpider 2D Image | 5-[(1R)-2-({5,6-Bis[(~2~H_5_)ethyl]-2,3-dihydro-1H-inden-2-yl}amino)-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone | C24H18D10N2O3

5-[(1R)-2-({5,6-Bis[(2H5)ethyl]-2,3-dihydro-1H-inden-2-yl}amino)-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone

  • Molecular FormulaC24H18D10N2O3
  • Average mass402.552 Da
  • Monoisotopic mass402.272766 Da
  • ChemSpider ID107448322

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2(1H)-Quinolinone, 5-[(1R)-2-[[5,6-di(ethyl-d5)-2,3-dihydro-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy- [ACD/Index Name]
5-[(1R)-2-({5,6-Bis[(2H5)ethyl]-2,3-dihydro-1H-inden-2-yl}amino)-1-hydroxyethyl]-8-hydroxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
5-[(1R)-2-({5,6-Bis[(2H5)éthyl]-2,3-dihydro-1H-indén-2-yl}amino)-1-hydroxyéthyl]-8-hydroxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
5-[(1R)-2-({5,6-Bis[(2H5)ethyl]-2,3-dihydro-1H-inden-2-yl}amino)-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 10.86
ACD/KOC (pH 7.4): 73.86
Polar Surface Area: 82 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 306.9±5.0 cm3

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