Found 4 results

Search term: XZISSTDXPBUCJA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-({[(3R,4R)-1-(4-Chloro-2,6-difluorophenyl)-3,4-dihydroxy(3,5,5-~2~H_3_)-4-piperidinyl](~2~H_2_)methyl}oxy)-8-fluoro-3,4-dihydro-2(1H)-quinolinone | C21H15D5ClF3N2O4

5-({[(3R,4R)-1-(4-Chloro-2,6-difluorophenyl)-3,4-dihydroxy(3,5,5-2H3)-4-piperidinyl](2H2)methyl}oxy)-8-fluoro-3,4-dihydro-2(1H)-quinolinone

  • Molecular FormulaC21H15D5ClF3N2O4
  • Average mass461.874 Da
  • Monoisotopic mass461.137756 Da
  • ChemSpider ID128943043

  • defined stereocentres - 2 of 2 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-[[[(4R,5R)-1-(4-chloro-2,6-difluorophenyl)-4,5-dihydroxy-4-piperidinyl-3,3,5-d3]methyl-d2]oxy]-8-fluoro-3,4-dihydro- [ACD/Index Name]
5-({[(3R,4R)-1-(4-Chlor-2,6-difluorphenyl)-3,4-dihydroxy(3,5,5-2H3)-4-piperidinyl](2H2)methyl}oxy)-8-fluor-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
5-({[(3R,4R)-1-(4-Chloro-2,6-difluorophényl)-3,4-dihydroxy(3,5,5-2H3)-4-pipéridinyl](2H2)méthyl}oxy)-8-fluoro-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
5-({[(3R,4R)-1-(4-Chloro-2,6-difluorophenyl)-3,4-dihydroxy(3,5,5-2H3)-4-piperidinyl](2H2)methyl}oxy)-8-fluoro-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 645.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.2±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.83
ACD/KOC (pH 5.5): 719.44
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.89
ACD/KOC (pH 7.4): 720.05
Polar Surface Area: 82 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

Click to predict properties on the Chemicalize site


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