ChemSpider 2D Image | Methyl N-{[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-L-alaninate | C16H16FN3O4

Methyl N-{[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-L-alaninate

  • Molecular FormulaC16H16FN3O4
  • Average mass333.314 Da
  • Monoisotopic mass333.112488 Da
  • ChemSpider ID32513848

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-[2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl]-, methyl ester [ACD/Index Name]
Methyl N-{[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-L-alaninate [ACD/IUPAC Name]
Methyl-N-{[3-(2-fluorphenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-L-alaninat [German] [ACD/IUPAC Name]
N-{2-[3-(2-Fluorophényl)-6-oxo-1(6H)-pyridazinyl]acétyl}-L-alaninate de méthyle [French] [ACD/IUPAC Name]
1630914-06-5 [RN]
2-{2-[3-(2-Fluoro-phenyl)-6-oxo-6H-pyridazin-1-yl]-acetylamino}-propionic acid methyl ester
methyl (2S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
METHYL (2S)-2-{2-[3-(2-FLUOROPHENYL)-6-OXOPYRIDAZIN-1-YL]ACETAMIDO}PROPANOATE
MolPort-035-703-562

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.585
    Molar Refractivity: 84.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.30
    ACD/LogD (pH 5.5): 0.64
    ACD/BCF (pH 5.5): 1.80
    ACD/KOC (pH 5.5): 52.97
    ACD/LogD (pH 7.4): 0.64
    ACD/BCF (pH 7.4): 1.80
    ACD/KOC (pH 7.4): 52.97
    Polar Surface Area: 88 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 45.7±7.0 dyne/cm
    Molar Volume: 252.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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