ChemSpider 2D Image | Ethyl 3-methyl-N-{[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinate | C21H29N3O3

Ethyl 3-methyl-N-{[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinate

  • Molecular FormulaC21H29N3O3
  • Average mass371.473 Da
  • Monoisotopic mass371.220886 Da
  • ChemSpider ID114951999

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Méthyl-N-{[1-(4-pentén-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-methyl-N-{[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Ethyl-3-methyl-N-{[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
L-Valine, 3-methyl-N-[[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±27.3 °C
Index of Refraction: 1.550
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 516.01
ACD/KOC (pH 5.5): 3043.16
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 515.82
ACD/KOC (pH 7.4): 3042.05
Polar Surface Area: 73 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 335.8±7.0 cm3

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