ChemSpider 2D Image | [(3S)-3-{[(2S)-1-Ethoxy-1-oxo-4-(~2~H_5_)phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid | C24H23D5N2O5

[(3S)-3-{[(2S)-1-Ethoxy-1-oxo-4-(2H5)phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid

  • Molecular FormulaC24H23D5N2O5
  • Average mass429.520 Da
  • Monoisotopic mass429.231201 Da
  • ChemSpider ID48058868

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(3S)-3-{[(2S)-1-Ethoxy-1-oxo-4-(2H5)phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid [ACD/IUPAC Name]
[(3S)-3-{[(2S)-1-Ethoxy-1-oxo-4-(2H5)phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]essigsäure [German] [ACD/IUPAC Name]
1279200-03-1 [RN]
1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-(phenyl-d5)propyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3S)- [ACD/Index Name]
Acide [(3S)-3-{[(2S)-1-éthoxy-1-oxo-4-(2H5)phényl-2-butanyl]amino}-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl]acétique [French] [ACD/IUPAC Name]
2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
Benazepril-d5

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 691.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.4±3.0 kJ/mol
    Flash Point: 371.8±31.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 116.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 0.71
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.29
    ACD/LogD (pH 7.4): -0.71
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 46.0±0.5 10-24cm3
    Surface Tension: 58.9±5.0 dyne/cm
    Molar Volume: 335.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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