Found 303 results

Search term: MF = 'C_{30}H_{25}N_{5}O_{4}'
ChemSpider 2D Image | N-{4-[(3a'S,6a'R)-3'-(1H-Indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide | C30H25N5O4

N-{4-[(3a'S,6a'R)-3'-(1H-Indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide

  • Molecular FormulaC30H25N5O4
  • Average mass519.551 Da
  • Monoisotopic mass519.190674 Da
  • ChemSpider ID22881572

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Acetamide, N-[4-[(3a'S,6a'R)-1,2,2',3',3'a,4',6',6'a-octahydro-3'-(1H-indol-3-ylmethyl)-2,4',6'-trioxospiro[3H-indole-3,1'(5'H)-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl]- [ACD/Index Name]
N-{4-[(3a'S,6a'R)-3'-(1H-Indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide [ACD/IUPAC Name]
1014063-55-8 [RN]
N-[4-[(3aR,6aS)-1-(1H-indol-3-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]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: 939.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 136.8±3.0 kJ/mol
    Flash Point: 522.0±34.3 °C
    Index of Refraction: 1.765
    Molar Refractivity: 143.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 2.70
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 48.53
    ACD/KOC (pH 5.5): 526.51
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 60.26
    ACD/KOC (pH 7.4): 653.66
    Polar Surface Area: 123 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 84.2±5.0 dyne/cm
    Molar Volume: 346.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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