ChemSpider 2D Image | [4-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-piperazinyl](6-fluoro-1H-indol-3-yl)acetic acid | C18H22FN3O4S

[4-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-piperazinyl](6-fluoro-1H-indol-3-yl)acetic acid

  • Molecular FormulaC18H22FN3O4S
  • Average mass395.448 Da
  • Monoisotopic mass395.131500 Da
  • ChemSpider ID22498656

More details:

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

[4-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-piperazinyl](6-fluor-1H-indol-3-yl)essigsäure [German] [ACD/IUPAC Name]
[4-(1,1-Dioxidotetrahydro-3-thiophenyl)-1-piperazinyl](6-fluoro-1H-indol-3-yl)acetic acid [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 6-fluoro-α-[4-(tetrahydro-1,1-dioxido-3-thienyl)-1-piperazinyl]- [ACD/Index Name]
Acide [4-(1,1-dioxydotétrahydro-3-thiophényl)-1-pipérazinyl](6-fluoro-1H-indol-3-yl)acétique [French] [ACD/IUPAC Name]
[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl](6-fluoro-1H-indol-3-yl)acetic acid
1081132-35-5 [RN]
2-(4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 661.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.3±3.0 kJ/mol
    Flash Point: 354.0±31.5 °C
    Index of Refraction: 1.670
    Molar Refractivity: 98.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.02
    ACD/LogD (pH 5.5): -1.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 39.2±0.5 10-24cm3
    Surface Tension: 71.8±3.0 dyne/cm
    Molar Volume: 264.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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