ChemSpider 2D Image | Methyl N-{[1-pentyl(~2~H_4_)-1H-indazol-3-yl]carbonyl}-L-valinate | C19H23D4N3O3

Methyl N-{[1-pentyl(2H4)-1H-indazol-3-yl]carbonyl}-L-valinate

  • Molecular FormulaC19H23D4N3O3
  • Average mass349.461 Da
  • Monoisotopic mass349.230347 Da
  • ChemSpider ID128937944
  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

L-Valine, N-[(1-pentyl-1H-indazol-3-yl-4,5,6,7-d4)carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-pentyl(2H4)-1H-indazol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-pentyl(2H4)-1H-indazol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[1-Pentyl(2H4)-1H-indazol-3-yl]carbonyl}-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: 531.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±24.6 °C
Index of Refraction: 1.565
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 582.14
ACD/KOC (pH 5.5): 3317.48
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 581.82
ACD/KOC (pH 7.4): 3315.65
Polar Surface Area: 73 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 299.2±7.0 cm3

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