ChemSpider 2D Image | 3-{[4-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-piperazinyl]methyl}-7,8-dimethoxy-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one | C22H29N5O5S

3-{[4-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-piperazinyl]methyl}-7,8-dimethoxy-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one

  • Molecular FormulaC22H29N5O5S
  • Average mass475.561 Da
  • Monoisotopic mass475.188934 Da
  • ChemSpider ID29343080

More details:

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

3-{[4-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-piperazinyl]methyl}-7,8-dimethoxy-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-on [German] [ACD/IUPAC Name]
3-{[4-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-piperazinyl]methyl}-7,8-dimethoxy-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one [ACD/IUPAC Name]
3-{[4-(1,1-Dioxydotétrahydro-3-thiophényl)-1-pipérazinyl]méthyl}-7,8-diméthoxy-5-méthyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one [French] [ACD/IUPAC Name]
4H-Pyridazino[4,5-b]indol-4-one, 3,5-dihydro-7,8-dimethoxy-5-methyl-3-[[4-(tetrahydro-1,1-dioxido-3-thienyl)-1-piperazinyl]methyl]- [ACD/Index Name]
1436004-16-8 [RN]
2-[4-(1,1-Dioxo-tetrahydro-1λ*6*-thiophen-3-yl)-piperazin-1-ylmethyl]-6,7-dimethoxy-9-methyl-2,9-dihydro-2,3,9-triaza-fluoren-1-one
3-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-7,8-dimethoxy-5-methylpyridazino[4,5-b]indol-4-one
3-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-7,8-dimethoxy-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 727.0±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.1±3.0 kJ/mol
    Flash Point: 393.5±35.7 °C
    Index of Refraction: 1.695
    Molar Refractivity: 122.9±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -0.79
    ACD/LogD (pH 5.5): -0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.11
    ACD/LogD (pH 7.4): -0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 22.79
    Polar Surface Area: 105 Å2
    Polarizability: 48.7±0.5 10-24cm3
    Surface Tension: 59.7±7.0 dyne/cm
    Molar Volume: 319.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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