ChemSpider 2D Image | 3-[(3a'S,6a'R)-5-Chloro-5'-(4-fluorobenzyl)-7-methyl-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]propanamide | C24H22ClFN4O4

3-[(3a'S,6a'R)-5-Chloro-5'-(4-fluorobenzyl)-7-methyl-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]propanamide

  • Molecular FormulaC24H22ClFN4O4
  • Average mass484.907 Da
  • Monoisotopic mass484.131348 Da
  • ChemSpider ID22872748

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

3-[(3a'S,6a'R)-5-Chloro-5'-(4-fluorobenzyl)-7-methyl-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]propanamide [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-3'-propanamide, 5-chloro-5'-[(4-fluorophenyl)methyl]-1,2,3',3'a,4',5',6',6'a-octahydro-7-methyl-2,4',6'-trioxo-, (3'aS,6'aR)- [ACD/Index Name]
1013982-14-3 [RN]
3-[(3aR,6aS)-5'-chloro-5-[(4-fluorophenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 814.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 118.4±3.0 kJ/mol
    Flash Point: 446.3±34.3 °C
    Index of Refraction: 1.685
    Molar Refractivity: 121.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 44.21
    ACD/KOC (pH 5.5): 511.55
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 48.12
    ACD/KOC (pH 7.4): 556.81
    Polar Surface Area: 122 Å2
    Polarizability: 48.0±0.5 10-24cm3
    Surface Tension: 74.0±5.0 dyne/cm
    Molar Volume: 318.5±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement