ChemSpider 2D Image | N-[(2S)-1-{[2-(3-Fluorophenyl)ethyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-piperazinecarboxamide | C21H26FN5O2

N-[(2S)-1-{[2-(3-Fluorophenyl)ethyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-piperazinecarboxamide

  • Molecular FormulaC21H26FN5O2
  • Average mass399.462 Da
  • Monoisotopic mass399.207062 Da
  • ChemSpider ID30673262

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxamide, N-[(1S)-2-[[2-(3-fluorophenyl)ethyl]amino]-1-methyl-2-oxoethyl]-4-(2-pyridinyl)- [ACD/Index Name]
N-[(2S)-1-{[2-(3-Fluorophenyl)ethyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-{[2-(3-Fluorophényl)éthyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-{[2-(3-Fluorphenyl)ethyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-[2-(3-FLUOROPHENYL)ETHYL]-2-[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYLAMINO]PROPANAMIDE
(2S)-N-[2-(3-FLUOROPHENYL)ETHYL]-2-{[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYL]AMINO}PROPANAMIDE
1314017-08-7 [RN]
N-[(2S)-1-[2-(3-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 697.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.2±3.0 kJ/mol
    Flash Point: 375.8±31.5 °C
    Index of Refraction: 1.579
    Molar Refractivity: 107.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): -0.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.69
    Polar Surface Area: 78 Å2
    Polarizability: 42.6±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 323.3±3.0 cm3

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