ChemSpider 2D Image | Dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene}-1,3-dithiole-4,5-dicarboxylate | C30H32N2O7S3

Dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene}-1,3-dithiole-4,5-dicarboxylate

  • Molecular FormulaC30H32N2O7S3
  • Average mass628.779 Da
  • Monoisotopic mass628.137146 Da
  • ChemSpider ID2673420

More details:

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

1,3-Dithiole-4,5-dicarboxylic acid, 2-[2,3-dihydro-2,2,6,8-tetramethyl-1-[2-(octahydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-3-thioxo-4(1H)-quinolinylidene]-, dimethyl ester [ACD/Index Name]
2-{1-[2-(1,3-Dioxooctahydro-2H-isoindol-2-yl)acétyl]-2,2,6,8-tétraméthyl-3-thioxo-2,3-dihydro-4(1H)-quinoléinylidène}-1,3-dithiole-4,5-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene}-1,3-dithiole-4,5-dicarboxylate [ACD/IUPAC Name]
Dimethyl-2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-chinolinyliden}-1,3-dithiol-4,5-dicarboxylat [German] [ACD/IUPAC Name]
2-{1-[2-(1,3-Dioxo-octahydro-isoindol-2-yl)-acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydro-1H-quinolin-4-ylidene}-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester
314039-78-6 [RN]
dimethyl 2-(1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
DIMETHYL 2-[1-[2-(1,3-DIOXO-3A,4,5,6,7,7A-HEXAHYDROISOINDOL-2-YL)ACETYL]-2,2,6,8-TETRAMETHYL-3-SULFANYLIDENEQUINOLIN-4-YLIDENE]-1,3-DITHIOLE-4,5-DICARBOXYLATE
dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2,6,8-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

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

AJ-292/13095209 [DBID]
EU-0037986 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 813.4±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 118.2±3.0 kJ/mol
    Flash Point: 445.7±37.1 °C
    Index of Refraction: 1.679
    Molar Refractivity: 163.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.74
    ACD/LogD (pH 5.5): 4.53
    ACD/BCF (pH 5.5): 1624.55
    ACD/KOC (pH 5.5): 6915.77
    ACD/LogD (pH 7.4): 4.53
    ACD/BCF (pH 7.4): 1624.55
    ACD/KOC (pH 7.4): 6915.78
    Polar Surface Area: 193 Å2
    Polarizability: 64.8±0.5 10-24cm3
    Surface Tension: 72.8±5.0 dyne/cm
    Molar Volume: 433.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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