ChemSpider 2D Image | trans-4-[({[3-(4-Fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)methyl]cyclohexanecarboxylic acid | C20H22FN3O4

trans-4-[({[3-(4-Fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)methyl]cyclohexanecarboxylic acid

  • Molecular FormulaC20H22FN3O4
  • Average mass387.405 Da
  • Monoisotopic mass387.159424 Da
  • ChemSpider ID28822948

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-[({2-[3-(4-fluorophényl)-6-oxo-1(6H)-pyridazinyl]acétyl}amino)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[2-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl]amino]methyl]-, trans- [ACD/Index Name]
trans-4-[({[3-(4-Fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
trans-4-[({[3-(4-Fluorphenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
1246059-02-8 [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: 1.633
    Molar Refractivity: 100.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.65
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 20.55
    ACD/LogD (pH 7.4): -1.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 99 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 53.0±7.0 dyne/cm
    Molar Volume: 281.1±7.0 cm3

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