ChemSpider 2D Image | 4-[(4-Fluorophenyl)amino]-4-oxo-2-{[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl}butanoic acid | C20H24FN5O3

4-[(4-Fluorophenyl)amino]-4-oxo-2-{[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl}butanoic acid

  • Molecular FormulaC20H24FN5O3
  • Average mass401.435 Da
  • Monoisotopic mass401.186310 Da
  • ChemSpider ID27326843

More details:

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

1H-1,4-Diazepine-1-propanoic acid, α-[2-[(4-fluorophenyl)amino]-2-oxoethyl]hexahydro-4-(2-pyrimidinyl)- [ACD/Index Name]
4-[(4-Fluorophenyl)amino]-4-oxo-2-{[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl}butanoic acid [ACD/IUPAC Name]
4-[(4-Fluorphenyl)amino]-4-oxo-2-{[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl}butansäure [German] [ACD/IUPAC Name]
Acide 4-[(4-fluorophényl)amino]-4-oxo-2-{[4-(2-pyrimidinyl)-1,4-diazépan-1-yl]méthyl}butanoïque [French] [ACD/IUPAC Name]
1282118-15-3 [RN]
4-(4-fluoroanilino)-4-oxo-2-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]butanoic acid
4-[(4-fluorophenyl)amino]-4-oxo-2-{[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}butanoic acid
N-(4-Fluoro-phenyl)-2-(4-pyrimidin-2-yl-[1,4]diazepan-1-ylmethyl)-succinamic 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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.605
    Molar Refractivity: 104.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): -0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 99 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 61.9±3.0 dyne/cm
    Molar Volume: 304.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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