ChemSpider 2D Image | 2-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}-4-[(2-hydroxyphenyl)amino]-4-oxobutanoic acid | C21H24FN3O4

2-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}-4-[(2-hydroxyphenyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC21H24FN3O4
  • Average mass401.431 Da
  • Monoisotopic mass401.175079 Da
  • ChemSpider ID30665767

More details:

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

1-Piperazinepropanoic acid, 4-(4-fluorophenyl)-α-[2-[(2-hydroxyphenyl)amino]-2-oxoethyl]- [ACD/Index Name]
2-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}-4-[(2-hydroxyphenyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
2-{[4-(4-Fluorphenyl)-1-piperazinyl]methyl}-4-[(2-hydroxyphenyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 2-{[4-(4-fluorophényl)-1-pipérazinyl]méthyl}-4-[(2-hydroxyphényl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
1374537-22-0 [RN]
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(2-hydroxyanilino)-4-oxobutanoic acid
2-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}-3-[(2-HYDROXYPHENYL)CARBAMOYL]PROPANOIC ACID
2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-[(2-hydroxyphenyl)amino]-4-oxobutanoic acid
AGN-PC-0DAX64
MCULE-2745741167
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 672.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.8±3.0 kJ/mol
    Flash Point: 360.7±31.5 °C
    Index of Refraction: 1.628
    Molar Refractivity: 105.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.85
    ACD/LogD (pH 5.5): 0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.18
    ACD/LogD (pH 7.4): -0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.13
    Polar Surface Area: 93 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 62.0±3.0 dyne/cm
    Molar Volume: 298.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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