ChemSpider 2D Image | Enalapril Diketopiperazine | C20H26N2O4

Enalapril Diketopiperazine

  • Molecular FormulaC20H26N2O4
  • Average mass358.431 Da
  • Monoisotopic mass358.189270 Da
  • ChemSpider ID27524700

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-[(3S,8aS)-3-Méthyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phénylbutanoate d'éthyle [French] [ACD/IUPAC Name]
115729-52-7 [RN]
Enalapril Diketopiperazine
Ethyl (2S)-2-[(3S,8aS)-3-methyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-[(3S,8aS)-3-methyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoat [German] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-2(1H)-acetic acid, hexahydro-3-methyl-1,4-dioxo-α-(2-phenylethyl)-, ethyl ester, (αS,3S,8aS)- [ACD/Index Name]
(a-S,3S,8aS)-Hexahydro-3-methyl-1,4-dioxo-a-(2-phenylethyl)pyrrolo[1,2-a]pyrazine-2(1H)-acetic acid ethyl ester
[3S-[2(R*),3a,8a-b]]-Hexahydro-3-methyl-1,4-dioxo-a-(2-phenylethyl)pyrrolo[1,2-a]pyrazine-2(1H)-acetic acid ethyl ester
Enalapril DKP
ethyl (2S)-2-[(3S,8aS)-3-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenylbutanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

609HCJ5DV4 [DBID]
UNII:609HCJ5DV4 [DBID]
UNII-609HCJ5DV4 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 562.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 294.2±30.1 °C
    Index of Refraction: 1.578
    Molar Refractivity: 97.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 62.10
    ACD/KOC (pH 5.5): 668.49
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 62.10
    ACD/KOC (pH 7.4): 668.49
    Polar Surface Area: 67 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 52.2±5.0 dyne/cm
    Molar Volume: 293.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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