ChemSpider 2D Image | 3-(Carboxy{4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-piperazinyl}methyl)-1-methyl-1H-indole-5-carboxylic acid | C23H31N5O5

3-(Carboxy{4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-piperazinyl}methyl)-1-methyl-1H-indole-5-carboxylic acid

  • Molecular FormulaC23H31N5O5
  • Average mass457.523 Da
  • Monoisotopic mass457.232513 Da
  • ChemSpider ID23495898

More details:

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

1H-Indole-3-acetic acid, 5-carboxy-1-methyl-α-[4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-piperazinyl]- [ACD/Index Name]
3-(Carboxy{4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-piperazinyl}methyl)-1-methyl-1H-indol-5-carbonsäure [German] [ACD/IUPAC Name]
3-(Carboxy{4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-piperazinyl}methyl)-1-methyl-1H-indole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-(carboxy{4-[2-(4-méthyl-1-pipérazinyl)-2-oxoéthyl]-1-pipérazinyl}méthyl)-1-méthyl-1H-indole-5-carboxylique [French] [ACD/IUPAC Name]
1214815-94-7 [RN]
3-(carboxy{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl}methyl)-1-methyl-1H-indole-5-carboxylic acid
3-(Carboxy-{4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-piperazin-1-yl}-methyl)-1-methyl-1H-indole-5-carboxylic acid
3-[carboxy-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-1-methylindole-5-carboxylic acid
AB01299493-01
AGN-PC-07CTP0
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 707.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.6±3.0 kJ/mol
    Flash Point: 381.5±32.9 °C
    Index of Refraction: 1.669
    Molar Refractivity: 122.0±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 0.99
    ACD/LogD (pH 5.5): -1.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 110 Å2
    Polarizability: 48.4±0.5 10-24cm3
    Surface Tension: 59.2±7.0 dyne/cm
    Molar Volume: 327.1±7.0 cm3

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