ChemSpider 2D Image | 1-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-3-(6-isopropoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-propanone | C22H26ClN5O3

1-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-3-(6-isopropoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-propanone

  • Molecular FormulaC22H26ClN5O3
  • Average mass443.927 Da
  • Monoisotopic mass443.172424 Da
  • ChemSpider ID30669378

More details:

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

1-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-3-(6-isopropoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-propanone [ACD/IUPAC Name]
1-[4-(4-Chlorophényl)-4-hydroxy-1-pipéridinyl]-3-(6-isopropoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-propanone [French] [ACD/IUPAC Name]
1-[4-(4-Chlorphenyl)-4-hydroxy-1-piperidinyl]-3-(6-isopropoxy[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-3-[6-(1-methylethoxy)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]- [ACD/Index Name]
1-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-3-(6-isopropoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-propan-1-one
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-[6-(propan-2-yloxy)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
1374547-60-0 [RN]

    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: 1.658
    Molar Refractivity: 118.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.47
    ACD/KOC (pH 5.5): 474.47
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.47
    ACD/KOC (pH 7.4): 474.55
    Polar Surface Area: 93 Å2
    Polarizability: 47.0±0.5 10-24cm3
    Surface Tension: 53.5±7.0 dyne/cm
    Molar Volume: 322.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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