ChemSpider 2D Image | 2-[3-(4-Bromophenyl)-6-oxo-1(6H)-pyridazinyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-methylacetamide | C17H18BrN3O4S

2-[3-(4-Bromophenyl)-6-oxo-1(6H)-pyridazinyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-methylacetamide

  • Molecular FormulaC17H18BrN3O4S
  • Average mass440.311 Da
  • Monoisotopic mass439.020142 Da
  • ChemSpider ID26037985

More details:

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

1(6H)-Pyridazineacetamide, 3-(4-bromophenyl)-N-methyl-6-oxo-N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
2-[3-(4-Bromophenyl)-6-oxo-1(6H)-pyridazinyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-methylacetamide [ACD/IUPAC Name]
2-[3-(4-Bromophényl)-6-oxo-1(6H)-pyridazinyl]-N-(1,1-dioxydotétrahydro-3-thiophényl)-N-méthylacétamide [French] [ACD/IUPAC Name]
2-[3-(4-Bromphenyl)-6-oxo-1(6H)-pyridazinyl]-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-methylacetamid [German] [ACD/IUPAC Name]
1232810-88-6 [RN]
2-[3-(4-Bromo-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-(1,1-dioxo-tetrahydro-1λ*6*-thiophen-3-yl)-N-methyl-acetamide
2-[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-methylacetamide
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 651.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.0±3.0 kJ/mol
    Flash Point: 347.7±34.3 °C
    Index of Refraction: 1.677
    Molar Refractivity: 103.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.42
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.53
    ACD/LogD (pH 7.4): 0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 30.53
    Polar Surface Area: 96 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 60.5±7.0 dyne/cm
    Molar Volume: 273.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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