ChemSpider 2D Image | Indacaterol-d3 | C24H25D3N2O3

Indacaterol-d3

  • Molecular FormulaC24H25D3N2O3
  • Average mass395.509 Da
  • Monoisotopic mass395.228821 Da
  • ChemSpider ID79413393

  • 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-ethyl-6-(ethyl-2,2,2-d3)-2,3-dihydro-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy- [ACD/Index Name]
5-[(1R)-2-({5-Ethyl-6-[(2,2,2-2H3)ethyl]-2,3-dihydro-1H-inden-2-yl}amino)-1-hydroxyethyl]-8-hydroxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
5-[(1R)-2-({5-Éthyl-6-[(2,2,2-2H3)éthyl]-2,3-dihydro-1H-indén-2-yl}amino)-1-hydroxyéthyl]-8-hydroxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
5-[(1R)-2-({5-Ethyl-6-[(2,2,2-2H3)ethyl]-2,3-dihydro-1H-inden-2-yl}amino)-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone [ACD/IUPAC Name]
Indacaterol-d3

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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