Found 126 results

Search term: C21H26FN3O6S (Found by molecular formula)
ChemSpider 2D Image | 3-(3-{Carboxy[4-(1,1-dioxidotetrahydro-3-thiophenyl)-1-piperazinyl]methyl}-6-fluoro-1H-indol-1-yl)propanoic acid | C21H26FN3O6S

3-(3-{Carboxy[4-(1,1-dioxidotetrahydro-3-thiophenyl)-1-piperazinyl]methyl}-6-fluoro-1H-indol-1-yl)propanoic acid

  • Molecular FormulaC21H26FN3O6S
  • Average mass467.511 Da
  • Monoisotopic mass467.152649 Da
  • ChemSpider ID26039171

More details:

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

1H-Indole-1-propanoic acid, 3-[carboxy[4-(tetrahydro-1,1-dioxido-3-thienyl)-1-piperazinyl]methyl]-6-fluoro- [ACD/Index Name]
3-(3-{Carboxy[4-(1,1-dioxidotetrahydro-3-thiophenyl)-1-piperazinyl]methyl}-6-fluor-1H-indol-1-yl)propansäure [German] [ACD/IUPAC Name]
3-(3-{Carboxy[4-(1,1-dioxidotetrahydro-3-thiophenyl)-1-piperazinyl]methyl}-6-fluoro-1H-indol-1-yl)propanoic acid [ACD/IUPAC Name]
Acide 3-(3-{carboxy[4-(1,1-dioxydotétrahydro-3-thiophényl)-1-pipérazinyl]méthyl}-6-fluoro-1H-indol-1-yl)propanoïque [French] [ACD/IUPAC Name]
1214853-62-9 [RN]
3-(3-(carboxy(4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl)methyl)-6-fluoro-1H-indol-1-yl)propanoic acid
3-(3-{carboxy[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-6-fluoro-1H-indol-1-yl)propanoic acid
3-(3-{Carboxy-[4-(1,1-dioxo-tetrahydro-1λ*6*-thiophen-3-yl)-piperazin-1-yl]-methyl}-6-fluoro-indol-1-yl)-propionic acid
3-[3-[carboxy-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-6-fluoroindol-1-yl]propanoic acid

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 747.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.3±3.0 kJ/mol
    Flash Point: 405.6±32.9 °C
    Index of Refraction: 1.682
    Molar Refractivity: 114.0±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 0.03
    ACD/LogD (pH 5.5): -2.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 129 Å2
    Polarizability: 45.2±0.5 10-24cm3
    Surface Tension: 64.3±7.0 dyne/cm
    Molar Volume: 301.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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