ChemSpider 2D Image | 4-(2-((4-Morpholinophenyl)amino)pyrimidin-4-yl)benzoic acid | C21H20N4O3

4-(2-((4-Morpholinophenyl)amino)pyrimidin-4-yl)benzoic acid

  • Molecular FormulaC21H20N4O3
  • Average mass376.409 Da
  • Monoisotopic mass376.153534 Da
  • ChemSpider ID29211782

More details:

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

4-(2-((4-Morpholinophenyl)amino)pyrimidin-4-yl)benzoic acid
4-(2-{[4-(4-Morpholinyl)phenyl]amino}-4-pyrimidinyl)benzoesäure [German] [ACD/IUPAC Name]
4-(2-{[4-(4-Morpholinyl)phenyl]amino}-4-pyrimidinyl)benzoic acid [ACD/IUPAC Name]
945749-71-3 [RN]
Acide 4-(2-{[4-(4-morpholinyl)phényl]amino}-4-pyrimidinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[[4-(4-morpholinyl)phenyl]amino]-4-pyrimidinyl]- [ACD/Index Name]
4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzoic acid
4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzoicacid
4-(2-{[4-(MORPHOLIN-4-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)BENZOIC ACID
CS-14283
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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: 664.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.6±3.0 kJ/mol
    Flash Point: 355.6±34.3 °C
    Index of Refraction: 1.665
    Molar Refractivity: 105.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 1.04
    ACD/KOC (pH 5.5): 9.55
    ACD/LogD (pH 7.4): -0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 88 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 65.4±3.0 dyne/cm
    Molar Volume: 283.0±3.0 cm3

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