ChemSpider 2D Image | Methyl N-{[1-(2-fluoropentyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate | C20H28FN3O3

Methyl N-{[1-(2-fluoropentyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate

  • Molecular FormulaC20H28FN3O3
  • Average mass377.453 Da
  • Monoisotopic mass377.211456 Da
  • ChemSpider ID84451363

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Valine, N-[[1-(2-fluoropentyl)-1H-indazol-3-yl]carbonyl]-3-methyl-, methyl ester [ACD/Index Name]
Methyl N-{[1-(2-fluoropentyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(2-fluorpentyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(2-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-3-méthyl-L-valinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.2±27.3 °C
Index of Refraction: 1.547
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.78
ACD/KOC (pH 5.5): 2280.22
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.58
ACD/KOC (pH 7.4): 2278.90
Polar Surface Area: 73 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 322.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement