ChemSpider 2D Image | 2-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(1-piperidinylsulfonyl)benzoate | C31H33N3O6S

2-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(1-piperidinylsulfonyl)benzoate

  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID2684933

More details:

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

2-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isochinolin-2(3H)-yl]ethyl-4-(1-piperidinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
2-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(1-piperidinylsulfonyl)benzoate [ACD/IUPAC Name]
4-(1-Pipéridinylsulfonyl)benzoate de 2-[1,3-dioxo-6-(1-pipéridinyl)-1H-benzo[de]isoquinoléin-2(3H)-yl]éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1-piperidinylsulfonyl)-, 2-[1,3-dioxo-6-(1-piperidinyl)-1H-benz[de]isoquinolin-2(3H)-yl]ethyl ester [ACD/Index Name]
2-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 4-(piperidin-1-ylsulfonyl)benzoate
2-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)ethyl 4-piperidin-1-ylsulfonylbenzoate
2-[2,4-dioxo-8-(piperidin-1-yl)-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]ethyl 4-(piperidine-1-sulfonyl)benzoate
361159-06-0 [RN]

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

ChemDiv1_000400 [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: 782.2±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.8±3.0 kJ/mol
    Flash Point: 426.9±35.7 °C
    Index of Refraction: 1.651
    Molar Refractivity: 154.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.82
    ACD/LogD (pH 5.5): 4.36
    ACD/BCF (pH 5.5): 1216.05
    ACD/KOC (pH 5.5): 5604.84
    ACD/LogD (pH 7.4): 4.37
    ACD/BCF (pH 7.4): 1228.21
    ACD/KOC (pH 7.4): 5660.89
    Polar Surface Area: 113 Å2
    Polarizability: 61.4±0.5 10-24cm3
    Surface Tension: 60.7±3.0 dyne/cm
    Molar Volume: 424.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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