ChemSpider 2D Image | 4-{[(3-Chloro-6-oxo-1(6H)-pyridazinyl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide | C23H28ClN5O3

4-{[(3-Chloro-6-oxo-1(6H)-pyridazinyl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide

  • Molecular FormulaC23H28ClN5O3
  • Average mass457.953 Da
  • Monoisotopic mass457.188080 Da
  • ChemSpider ID29770466

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1(6H)-Pyridazineacetamide, 3-chloro-N-[4-[[[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]amino]carbonyl]phenyl]-6-oxo- [ACD/Index Name]
4-{[(3-Chlor-6-oxo-1(6H)-pyridazinyl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]benzamid [German] [ACD/IUPAC Name]
4-{[(3-Chloro-6-oxo-1(6H)-pyridazinyl)acetyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]benzamide [ACD/IUPAC Name]
4-{[2-(3-Chloro-6-oxo-1(6H)-pyridazinyl)acétyl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]benzamide [French] [ACD/IUPAC Name]
1435901-44-2 [RN]
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-[[2-(3-chloro-6-oxopyridazin-1-yl)acetyl]amino]benzamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.677
    Molar Refractivity: 122.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.09
    ACD/LogD (pH 5.5): -1.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 94 Å2
    Polarizability: 48.6±0.5 10-24cm3
    Surface Tension: 57.7±7.0 dyne/cm
    Molar Volume: 325.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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