ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-yl]-1-[5-fluoro(1,1,5,5-~2~H_4_)pentyl]-1H-indazole-3-carboxamide | C23H26D4FN3O

N-[(3s,5s,7s)-Adamantan-1-yl]-1-[5-fluoro(1,1,5,5-2H4)pentyl]-1H-indazole-3-carboxamide

  • Molecular FormulaC23H26D4FN3O
  • Average mass387.527 Da
  • Monoisotopic mass387.262390 Da
  • ChemSpider ID107442786

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Indazole-3-carboxamide, 1-(5-fluoropentyl-1,1,5,5-d4)-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-[5-fluor(1,1,5,5-2H4)pentyl]-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-[5-fluoro(1,1,5,5-2H4)pentyl]-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-[5-fluoro(1,1,5,5-2H4)pentyl]-1H-indazole-3-carboxamide [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: 584.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.6±24.6 °C
Index of Refraction: 1.673
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1399.50
ACD/KOC (pH 5.5): 6215.64
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1399.48
ACD/KOC (pH 7.4): 6215.54
Polar Surface Area: 47 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 285.9±7.0 cm3

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