ChemSpider 2D Image | Epelsiban | C30H38N4O4

Epelsiban

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID9809717
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione
(3R,6R)-6-[(2S)-2-Butanyl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6R)-6-[(2S)-2-Butanyl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6R)-6-[(2S)-2-Butanyl]-3-(2,3-dihydro-1H-indén-2-yl)-1-[(1R)-1-(2,6-diméthyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoéthyl]-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-, (3R,6R)- [ACD/Index Name]
872599-83-2 [RN]
Epelsibán [Spanish] [INN]
Épelsiban [French] [INN]
Epelsibanum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9453 [DBID]
GSK557296B [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 790.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.0±3.0 kJ/mol
    Flash Point: 431.9±32.9 °C
    Index of Refraction: 1.588
    Molar Refractivity: 143.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 3.13
    ACD/BCF (pH 5.5): 130.60
    ACD/KOC (pH 5.5): 1033.36
    ACD/LogD (pH 7.4): 3.28
    ACD/BCF (pH 7.4): 182.52
    ACD/KOC (pH 7.4): 1444.19
    Polar Surface Area: 92 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 52.1±3.0 dyne/cm
    Molar Volume: 426.9±3.0 cm3

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