ChemSpider 2D Image | JNJ-61393215 | C23H16D2F4N4O2

JNJ-61393215

  • Molecular FormulaC23H16D2F4N4O2
  • Average mass460.421 Da
  • Monoisotopic mass460.149139 Da
  • ChemSpider ID76117730

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[3-Fluor-2-(2-pyrimidinyl)phenyl][(1S,4R,6R)-6-{[5-(trifluormethyl)-2-pyridinyl]oxy}(3,3-2H2)-2-azabicyclo[2.2.1]hept-2-yl]methanon [German] [ACD/IUPAC Name]
[3-Fluoro-2-(2-pyrimidinyl)phenyl][(1S,4R,6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}(3,3-2H2)-2-azabicyclo[2.2.1]hept-2-yl]methanone [ACD/IUPAC Name]
[3-Fluoro-2-(2-pyrimidinyl)phényl][(1S,4R,6R)-6-{[5-(trifluorométhyl)-2-pyridinyl]oxy}(3,3-2H2)-2-azabicyclo[2.2.1]hept-2-yl]méthanone [French] [ACD/IUPAC Name]
JNJ-61393215
Methanone, [3-fluoro-2-(2-pyrimidinyl)phenyl][(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]hept-2-yl-3,3-d2]- [ACD/Index Name]
1637681-55-0 [RN]
tebideutorexant

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.6±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.11
ACD/KOC (pH 5.5): 802.18
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.12
ACD/KOC (pH 7.4): 802.24
Polar Surface Area: 68 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 325.5±3.0 cm3

Click to predict properties on the Chemicalize site


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