ChemSpider 2D Image | Sar-125844 | C25H23FN8O2S2

Sar-125844

  • Molecular FormulaC25H23FN8O2S2
  • Average mass550.631 Da
  • Monoisotopic mass550.136963 Da
  • ChemSpider ID34564994

More details:

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

1-(6-{[6-(4-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(4-morpholinyl)ethyl]urea [ACD/IUPAC Name]
1-(6-{[6-(4-Fluorophényl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(4-morpholinyl)éthyl]urée [French] [ACD/IUPAC Name]
1-(6-{[6-(4-Fluorphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(4-morpholinyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1116743-46-4 [RN]
3-(6-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-1-[2-(morpholin-4-yl)ethyl]urea
Sar-125844
Urea, N-[6-[[6-(4-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-2-benzothiazolyl]-N'-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
XH93U6NIJE
1-[6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4461070/
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.781
    Molar Refractivity: 146.4±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 2.30
    ACD/BCF (pH 5.5): 17.96
    ACD/KOC (pH 5.5): 134.65
    ACD/LogD (pH 7.4): 3.22
    ACD/BCF (pH 7.4): 151.84
    ACD/KOC (pH 7.4): 1138.48
    Polar Surface Area: 163 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 68.0±7.0 dyne/cm
    Molar Volume: 348.8±7.0 cm3

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