ChemSpider 2D Image | 2-[(3a'S,6a'R)-5-Fluoro-5'-(2-methoxyethyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide | C18H19FN4O5

2-[(3a'S,6a'R)-5-Fluoro-5'-(2-methoxyethyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide

  • Molecular FormulaC18H19FN4O5
  • Average mass390.366 Da
  • Monoisotopic mass390.133942 Da
  • ChemSpider ID22880254

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-[(3a'S,6a'R)-5-Fluoro-5'-(2-methoxyethyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-3'-acetamide, 5-fluoro-1,2,3',3'a,4',5',6',6'a-octahydro-5'-(2-methoxyethyl)-2,4',6'-trioxo-, (3'aS,6'aR)- [ACD/Index Name]
1212472-13-3 [RN]
2-[(3aR,6aS)-5'-fluoro-5-(2-methoxyethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 737.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.5±3.0 kJ/mol
    Flash Point: 399.6±32.9 °C
    Index of Refraction: 1.650
    Molar Refractivity: 93.3±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.25
    ACD/LogD (pH 5.5): 0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 25.71
    ACD/LogD (pH 7.4): 0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 26.78
    Polar Surface Area: 131 Å2
    Polarizability: 37.0±0.5 10-24cm3
    Surface Tension: 72.3±5.0 dyne/cm
    Molar Volume: 255.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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