ChemSpider 2D Image | 2-[(3a'S,6a'R)-5-Chloro-5'-(3-methoxypropyl)-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 | C19H21ClN4O5

2-[(3a'S,6a'R)-5-Chloro-5'-(3-methoxypropyl)-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 FormulaC19H21ClN4O5
  • Average mass420.847 Da
  • Monoisotopic mass420.120056 Da
  • ChemSpider ID22880457

  • 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-Chloro-5'-(3-methoxypropyl)-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-chloro-1,2,3',3'a,4',5',6',6'a-octahydro-5'-(3-methoxypropyl)-2,4',6'-trioxo-, (3'aS,6'aR)- [ACD/Index Name]
1014022-47-9 [RN]
2-[(3aR,6aS)-5'-chloro-5-(3-methoxypropyl)-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: 764.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.3±3.0 kJ/mol
    Flash Point: 416.0±32.9 °C
    Index of Refraction: 1.659
    Molar Refractivity: 102.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 0.89
    ACD/BCF (pH 5.5): 2.77
    ACD/KOC (pH 5.5): 71.45
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 2.88
    ACD/KOC (pH 7.4): 74.26
    Polar Surface Area: 131 Å2
    Polarizability: 40.7±0.5 10-24cm3
    Surface Tension: 73.8±5.0 dyne/cm
    Molar Volume: 278.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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