ChemSpider 2D Image | N-[5-Hydroxy-2,4-bis(2-methyl-2-propanyl)phenyl]-4-oxo(5,6,7,8-~2~H_4_)-1,4-dihydro-3-quinolinecarboxamide | C24H24D4N2O3

N-[5-Hydroxy-2,4-bis(2-methyl-2-propanyl)phenyl]-4-oxo(5,6,7,8-2H4)-1,4-dihydro-3-quinolinecarboxamide

  • Molecular FormulaC24H24D4N2O3
  • Average mass396.515 Da
  • Monoisotopic mass396.235107 Da
  • ChemSpider ID123963028

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Quinoline-5,6,7,8-d4-carboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo- [ACD/Index Name]
N-[5-Hydroxy-2,4-bis(2-methyl-2-propanyl)phenyl]-4-oxo(5,6,7,8-2H4)-1,4-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-[5-Hydroxy-2,4-bis(2-méthyl-2-propanyl)phényl]-4-oxo(5,6,7,8-2H4)-1,4-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[5-Hydroxy-2,4-bis(2-methyl-2-propanyl)phenyl]-4-oxo(5,6,7,8-2H4)-1,4-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
Ivacaftor-d4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 286.7±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7688.79
ACD/KOC (pH 5.5): 21041.43
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7688.10
ACD/KOC (pH 7.4): 21039.54
Polar Surface Area: 78 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 330.5±3.0 cm3

Click to predict properties on the Chemicalize site


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