ChemSpider 2D Image | Methyl N-{[1-(3-fluoropentyl)-1H-indazol-3-yl]carbonyl}-L-valinate | C19H26FN3O3

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

  • Molecular FormulaC19H26FN3O3
  • Average mass363.426 Da
  • Monoisotopic mass363.195831 Da
  • ChemSpider ID68025597

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Valine, N-[[1-(3-fluoropentyl)-1H-indazol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[1-(3-fluoropentyl)-1H-indazol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-N-{[1-(3-fluorpentyl)-1H-indazol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
N-{[1-(3-Fluoropentyl)-1H-indazol-3-yl]carbonyl}-L-valinate de méthyle [French] [ACD/IUPAC Name]
3-fluoro AMB
METHYL (2S)-2-{[1-(3-FLUOROPENTYL)-1H-INDAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANOATE
METHYL (2S)-2-{[1-(3-FLUOROPENTYL)INDAZOL-3-YL]FORMAMIDO}-3-METHYLBUTANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 541.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.3±27.3 °C
Index of Refraction: 1.557
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 181.33
ACD/KOC (pH 5.5): 1439.53
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 181.22
ACD/KOC (pH 7.4): 1438.67
Polar Surface Area: 73 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

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