ChemSpider 2D Image | [1-(Carboxymethyl)-6-fluoro-1H-indol-3-yl][4-(2-methyl-2-propen-1-yl)-1-piperazinyl]acetic acid | C20H24FN3O4

[1-(Carboxymethyl)-6-fluoro-1H-indol-3-yl][4-(2-methyl-2-propen-1-yl)-1-piperazinyl]acetic acid

  • Molecular FormulaC20H24FN3O4
  • Average mass389.421 Da
  • Monoisotopic mass389.175079 Da
  • ChemSpider ID23492814

More details:

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

[1-(Carboxymethyl)-6-fluor-1H-indol-3-yl][4-(2-methyl-2-propen-1-yl)-1-piperazinyl]essigsäure [German] [ACD/IUPAC Name]
[1-(Carboxymethyl)-6-fluoro-1H-indol-3-yl][4-(2-methyl-2-propen-1-yl)-1-piperazinyl]acetic acid [ACD/IUPAC Name]
1H-Indole-1,3-diacetic acid, 6-fluoro-α3-[4-(2-methyl-2-propen-1-yl)-1-piperazinyl]- [ACD/Index Name]
Acide [1-(carboxyméthyl)-6-fluoro-1H-indol-3-yl][4-(2-méthyl-2-propén-1-yl)-1-pipérazinyl]acétique [French] [ACD/IUPAC Name]
(1-Carboxymethyl-6-fluoro-1H-indol-3-yl)-[4-(2-methyl-allyl)-piperazin-1-yl]-acetic acid
[1-(carboxymethyl)-6-fluoro-1H-indol-3-yl][4-(2-methylprop-2-en-1-yl)piperazin-1-yl]acetic acid
1214827-33-4 [RN]
2-[1-(carboxymethyl)-6-fluoroindol-3-yl]-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 586.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.1±3.0 kJ/mol
    Flash Point: 308.4±30.1 °C
    Index of Refraction: 1.616
    Molar Refractivity: 101.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.21
    ACD/LogD (pH 5.5): -1.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 86 Å2
    Polarizability: 40.4±0.5 10-24cm3
    Surface Tension: 49.3±7.0 dyne/cm
    Molar Volume: 291.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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