ChemSpider 2D Image | Deutivacaftor | C24H19D9N2O3

Deutivacaftor

  • Molecular FormulaC24H19D9N2O3
  • Average mass401.546 Da
  • Monoisotopic mass401.266479 Da
  • ChemSpider ID64853784

  • Non-standard isotope - Non-standard isotope

More details:

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

1413431-07-8 [RN]
3-Quinolinecarboxamide, N-[2-(1,1-dimethylethyl)-4-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-5-hydroxyphenyl]-1,4-dihydro-4-oxo- [ACD/Index Name]
deutivacaftor [French] [INN]
deutivacaftor [Spanish] [INN]
Deutivacaftor [INN]
deutivacaftorum [Latin] [INN]
N-{5-Hydroxy-4-[2-(2H3)methyl(2H6)-2-propanyl]-2-(2-methyl-2-propanyl)phenyl}-4-oxo-1,4-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-{5-Hydroxy-4-[2-(2H3)méthyl(2H6)-2-propanyl]-2-(2-méthyl-2-propanyl)phényl}-4-oxo-1,4-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-{5-Hydroxy-4-[2-(2H3)methyl(2H6)-2-propanyl]-2-(2-methyl-2-propanyl)phenyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
氘替卡托 [Chinese] [INN]
More...

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

SHA6U5FJZL [DBID]

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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