ChemSpider 2D Image | 6-{4-[2-({(2S)-3-[(1,3,6,8-~2~H_4_)-9H-Carbazol-4-yloxy]-2-hydroxypropyl}amino)-2-methylpropyl]phenoxy}nicotinamide | C31H28D4N4O4

6-{4-[2-({(2S)-3-[(1,3,6,8-2H4)-9H-Carbazol-4-yloxy]-2-hydroxypropyl}amino)-2-methylpropyl]phenoxy}nicotinamide

  • Molecular FormulaC31H28D4N4O4
  • Average mass528.635 Da
  • Monoisotopic mass528.267456 Da
  • ChemSpider ID9378395

  • 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

3-Pyridinecarboxamide, 6-[4-[2-[[(2S)-3-(9H-carbazol-4-yl-1,3,6,8-d4-oxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]- [ACD/Index Name]
6-{4-[2-({(2S)-3-[(1,3,6,8-2H4)-9H-Carbazol-4-yloxy]-2-hydroxypropyl}amino)-2-methylpropyl]phenoxy}nicotinamid [German] [ACD/IUPAC Name]
6-{4-[2-({(2S)-3-[(1,3,6,8-2H4)-9H-Carbazol-4-yloxy]-2-hydroxypropyl}amino)-2-methylpropyl]phenoxy}nicotinamide [ACD/IUPAC Name]
6-{4-[2-({(2S)-3-[(1,3,6,8-2H4)-9H-Carbazol-4-yloxy]-2-hydroxypropyl}amino)-2-méthylpropyl]phénoxy}nicotinamide [French] [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: 809.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.3±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 6.01
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 15.48
ACD/KOC (pH 7.4): 67.23
Polar Surface Area: 122 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 409.0±3.0 cm3

Click to predict properties on the Chemicalize site


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