ChemSpider 2D Image | Ethyl N-{[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl}-L-valinate | C20H28FN3O3

Ethyl N-{[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl}-L-valinate

  • Molecular FormulaC20H28FN3O3
  • Average mass377.453 Da
  • Monoisotopic mass377.211456 Da
  • ChemSpider ID67167162

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethyl N-{[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Ethyl-N-{[1-(5-fluorpentyl)-1H-indazol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[[1-(5-fluoropentyl)-1H-indazol-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
N-{[1-(5-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-L-valinate d'éthyle [French] [ACD/IUPAC Name]
2365471-51-6 [RN]
5F-EMB-PINACA [Wiki]
5F-EMB-PINACAmissing
5-fluoro AEB
ETHYL (2S)-2-{[1-(5-FLUOROPENTYL)-1H-INDAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANOATE
ethyl [1-(5-fluoropentyl)-1h-indazole-3-carbonyl]valinate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 557.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.7±27.3 °C
Index of Refraction: 1.553
Molar Refractivity: 102.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 255.69
ACD/KOC (pH 5.5): 1840.97
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.57
ACD/KOC (pH 7.4): 1840.14
Polar Surface Area: 73 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 319.0±7.0 cm3

Click to predict properties on the Chemicalize site


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