ChemSpider 2D Image | Diethyl 5-{[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C27H26N2O7S

Diethyl 5-{[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC27H26N2O7S
  • Average mass522.570 Da
  • Monoisotopic mass522.146057 Da
  • ChemSpider ID2372596

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[4-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)-1-oxobutyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
5-{[4-(1,3-Dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)butanoyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-{[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-5-{[4-(1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)butanoyl]amino}-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
112632-96-9 [RN]
2,4-diethyl 5-(4-{2,4-dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl}butanamido)-3-methylthiophene-2,4-dicarboxylate
324045-05-8 [RN]
5-[4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-butyrylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester
diethyl 5-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00791825 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 727.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.2±3.0 kJ/mol
    Flash Point: 393.8±32.9 °C
    Index of Refraction: 1.648
    Molar Refractivity: 139.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.23
    ACD/LogD (pH 5.5): 4.76
    ACD/BCF (pH 5.5): 2418.92
    ACD/KOC (pH 5.5): 9195.87
    ACD/LogD (pH 7.4): 4.76
    ACD/BCF (pH 7.4): 2418.92
    ACD/KOC (pH 7.4): 9195.86
    Polar Surface Area: 147 Å2
    Polarizability: 55.2±0.5 10-24cm3
    Surface Tension: 61.6±3.0 dyne/cm
    Molar Volume: 382.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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