ChemSpider 2D Image | Methyl 3-[({3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}acetyl)amino]-4-methoxy-1H-indole-2-carboxylate | C31H28N4O6

Methyl 3-[({3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}acetyl)amino]-4-methoxy-1H-indole-2-carboxylate

  • Molecular FormulaC31H28N4O6
  • Average mass552.577 Da
  • Monoisotopic mass552.200867 Da
  • ChemSpider ID4102338

More details:

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

1H-Indole-2-carboxylic acid, 3-[[2-[3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl]acetyl]amino]-4-methoxy-, methyl ester [ACD/Index Name]
3-[(2-{3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)méthyl]-3,4-dihydro-2(1H)-isoquinoléinyl}acétyl)amino]-4-méthoxy-1H-indole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[({3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}acetyl)amino]-4-methoxy-1H-indole-2-carboxylate [ACD/IUPAC Name]
Methyl-3-[({3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isochinolinyl}acetyl)amino]-4-methoxy-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
methyl 3-[({3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}acetyl)amino]-4-methoxy-1H-indole-2-carboxylate
methyl 3-[[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 801.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 116.5±3.0 kJ/mol
    Flash Point: 438.3±34.3 °C
    Index of Refraction: 1.690
    Molar Refractivity: 151.6±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 4.21
    ACD/BCF (pH 5.5): 818.82
    ACD/KOC (pH 5.5): 3617.27
    ACD/LogD (pH 7.4): 4.45
    ACD/BCF (pH 7.4): 1412.87
    ACD/KOC (pH 7.4): 6241.57
    Polar Surface Area: 121 Å2
    Polarizability: 60.1±0.5 10-24cm3
    Surface Tension: 66.6±3.0 dyne/cm
    Molar Volume: 396.4±3.0 cm3

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