ChemSpider 2D Image | [(3R)-3-{[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid | C24H28N2O5

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

  • Molecular FormulaC24H28N2O5
  • Average mass424.490 Da
  • Monoisotopic mass424.199829 Da
  • ChemSpider ID32698826

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3R)-3-{[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid [ACD/IUPAC Name]
[(3R)-3-{[(2R)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]essigsäure [German] [ACD/IUPAC Name]
131064-75-0 [RN]
1H-1-Benzazepine-1-acetic acid, 3-[[(1R)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, (3R)- [ACD/Index Name]
98626-50-7 [RN]
Acide [(3R)-3-{[(2R)-1-éthoxy-1-oxo-4-phényl-2-butanyl]amino}-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl]acétique [French] [ACD/IUPAC Name]
1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-
2-((R)-3-(((R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid
2-[(3R)-3-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
BENAZEPRIL, (±)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0ZV52P36A9 [DBID]
PX47FSF9B3 [DBID]
UNII:PX47FSF9B3 [DBID]
CGP-42456A [DBID]
UNII:0ZV52P36A9 [DBID]
UNII-0ZV52P36A9 [DBID]
UNII-PX47FSF9B3 [DBID]

    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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