ChemSpider 2D Image | LXH254 | C25H25F3N4O4

LXH254

  • Molecular FormulaC25H25F3N4O4
  • Average mass502.486 Da
  • Monoisotopic mass502.182800 Da
  • ChemSpider ID67886371

More details:






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

1800398-38-2 [RN]
4-Pyridinecarboxamide, N-[3-[2-(2-hydroxyethoxy)-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)- [ACD/Index Name]
LXH254
N-{3-[2-(2-Hydroxyethoxy)-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl}-2-(trifluormethyl)isonicotinamid [German] [ACD/IUPAC Name]
N-{3-[2-(2-Hydroxyethoxy)-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl}-2-(trifluoromethyl)isonicotinamide [ACD/IUPAC Name]
N-{3-[2-(2-Hydroxyéthoxy)-6-(4-morpholinyl)-4-pyridinyl]-4-méthylphényl}-2-(trifluorométhyl)isonicotinamide [French] [ACD/IUPAC Name]
1800398-38-2 (free base)
BS-16133
LXH254 free base
N-[3-[2-(2-hydroxyethoxy)-6-(4-morpholinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)-4-pyridinecarboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.17
ACD/KOC (pH 5.5): 898.36
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.97
ACD/KOC (pH 7.4): 906.03
Polar Surface Area: 97 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 371.1±3.0 cm3

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