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Search term: ALKXGRRRDTVNIY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(2-Methyl-4-pyridinyl)-N-(3-{[6-(trifluoromethyl)-1H-indazol-1-yl]methyl}cyclohexyl)-1H-indazole-5-carboxamide | C29H27F3N6O

3-(2-Methyl-4-pyridinyl)-N-(3-{[6-(trifluoromethyl)-1H-indazol-1-yl]methyl}cyclohexyl)-1H-indazole-5-carboxamide

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID76815014

More details:

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

1H-Indazole-5-carboxamide, 3-(2-methyl-4-pyridinyl)-N-[3-[[6-(trifluoromethyl)-1H-indazol-1-yl]methyl]cyclohexyl]- [ACD/Index Name]
3-(2-Methyl-4-pyridinyl)-N-(3-{[6-(trifluormethyl)-1H-indazol-1-yl]methyl}cyclohexyl)-1H-indazol-5-carboxamid [German] [ACD/IUPAC Name]
3-(2-Methyl-4-pyridinyl)-N-(3-{[6-(trifluoromethyl)-1H-indazol-1-yl]methyl}cyclohexyl)-1H-indazole-5-carboxamide [ACD/IUPAC Name]
3-(2-Méthyl-4-pyridinyl)-N-(3-{[6-(trifluorométhyl)-1H-indazol-1-yl]méthyl}cyclohexyl)-1H-indazole-5-carboxamide [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: 750.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.8±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3113.39
ACD/KOC (pH 5.5): 10794.15
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3341.92
ACD/KOC (pH 7.4): 11586.47
Polar Surface Area: 88 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 372.4±7.0 cm3

Click to predict properties on the Chemicalize site


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