ChemSpider 2D Image | Ethyl N-{[1-(4-fluorobutyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate | C20H28FN3O3

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

  • Molecular FormulaC20H28FN3O3
  • Average mass377.453 Da
  • Monoisotopic mass377.211456 Da
  • ChemSpider ID103835349

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethyl N-{[1-(4-fluorobutyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinate [ACD/IUPAC Name]
Ethyl-N-{[1-(4-fluorbutyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[[1-(4-fluorobutyl)-1H-indazol-3-yl]carbonyl]-3-methyl-, ethyl ester [ACD/Index Name]
N-{[1-(4-Fluorobutyl)-1H-indazol-3-yl]carbonyl}-3-méthyl-L-valinate d'éthyle [French] [ACD/IUPAC Name]
4-fluoro EDMB-BUTINACA
ethyl (S)-2-(1-(4-fluorobutyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 551.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.6±27.3 °C
Index of Refraction: 1.546
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.72
ACD/KOC (pH 5.5): 1752.64
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 238.63
ACD/KOC (pH 7.4): 1751.98
Polar Surface Area: 73 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 323.5±7.0 cm3

Click to predict properties on the Chemicalize site


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