ChemSpider 2D Image | N-{(3S)-5-[6-(Hydroxymethyl)-3-pyridinyl]-3,4-dihydro-2H-chromen-3-yl}-6-[2-(2,2,2-trifluoroethoxy)ethoxy]nicotinamide | C25H24F3N3O5

N-{(3S)-5-[6-(Hydroxymethyl)-3-pyridinyl]-3,4-dihydro-2H-chromen-3-yl}-6-[2-(2,2,2-trifluoroethoxy)ethoxy]nicotinamide

  • Molecular FormulaC25H24F3N3O5
  • Average mass503.470 Da
  • Monoisotopic mass503.166809 Da
  • ChemSpider ID28521950

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarboxamide, N-[(3S)-3,4-dihydro-5-[6-(hydroxymethyl)-3-pyridinyl]-2H-1-benzopyran-3-yl]-6-[2-(2,2,2-trifluoroethoxy)ethoxy]- [ACD/Index Name]
N-{(3S)-5-[6-(Hydroxymethyl)-3-pyridinyl]-3,4-dihydro-2H-chromen-3-yl}-6-[2-(2,2,2-trifluorethoxy)ethoxy]nicotinamid [German] [ACD/IUPAC Name]
N-{(3S)-5-[6-(Hydroxymethyl)-3-pyridinyl]-3,4-dihydro-2H-chromen-3-yl}-6-[2-(2,2,2-trifluoroethoxy)ethoxy]nicotinamide [ACD/IUPAC Name]
N-{(3S)-5-[6-(Hydroxyméthyl)-3-pyridinyl]-3,4-dihydro-2H-chromén-3-yl}-6-[2-(2,2,2-trifluoroéthoxy)éthoxy]nicotinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.35
ACD/KOC (pH 5.5): 809.42
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.50
ACD/KOC (pH 7.4): 840.31
Polar Surface Area: 103 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

Click to predict properties on the Chemicalize site


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