ChemSpider 2D Image | Methyl 2-({(1S)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoate | C23H26N4O4

Methyl 2-({(1S)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoate

  • Molecular FormulaC23H26N4O4
  • Average mass422.477 Da
  • Monoisotopic mass422.195404 Da
  • ChemSpider ID27450752

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({(1S)-1-[7-Méthyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]éthyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(1S)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({(1S)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-({(1S)-1-[7-methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl}amino)benzoat [German] [ACD/IUPAC Name]
(S)-methyl 2-((1-(7-methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethyl)amino)benzoate
(S)-methyl 2-(1-(7-methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethylamino)benzoate
(S)-methyl-2-(1-(7-methyl-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)ethylamino)benzoate
1173900-38-3 [RN]
CS-13743
MFCD18642894

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 595.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.7±3.0 kJ/mol
    Flash Point: 313.6±32.9 °C
    Index of Refraction: 1.636
    Molar Refractivity: 116.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.29
    ACD/LogD (pH 5.5): 2.95
    ACD/BCF (pH 5.5): 102.60
    ACD/KOC (pH 5.5): 956.54
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 102.98
    ACD/KOC (pH 7.4): 960.17
    Polar Surface Area: 83 Å2
    Polarizability: 46.1±0.5 10-24cm3
    Surface Tension: 48.9±7.0 dyne/cm
    Molar Volume: 324.5±7.0 cm3

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