ChemSpider 2D Image | N-{[3-(3,4-Dimethoxyphenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-L-alanine | C17H19N3O6

N-{[3-(3,4-Dimethoxyphenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-L-alanine

  • Molecular FormulaC17H19N3O6
  • Average mass361.349 Da
  • Monoisotopic mass361.127380 Da
  • ChemSpider ID28823016

  • 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-(3,4-dimethoxyphenyl)-6-oxo-1(6H)-pyridazinyl]acetyl]- [ACD/Index Name]
N-{[3-(3,4-Dimethoxyphenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-L-alanin [German] [ACD/IUPAC Name]
N-{[3-(3,4-Dimethoxyphenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-L-alanine [ACD/IUPAC Name]
N-{2-[3-(3,4-Diméthoxyphényl)-6-oxo-1(6H)-pyridazinyl]acétyl}-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoic acid
(S)-2-(2-(3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1(6H)-yl)acetamido)propanoic acid
1324858-17-4 [RN]

    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: 1.596
    Molar Refractivity: 91.5±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: -0.36
    ACD/LogD (pH 5.5): -2.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 49.5±7.0 dyne/cm
    Molar Volume: 268.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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