ChemSpider 2D Image | 3-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-(4-morpholinylsulfonyl)benzoate | C31H33N3O7S

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

  • Molecular FormulaC31H33N3O7S
  • Average mass591.675 Da
  • Monoisotopic mass591.203918 Da
  • ChemSpider ID3204369

More details:

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

3-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isochinolin-2(3H)-yl]propyl-4-(4-morpholinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
3-[1,3-Dioxo-6-(1-piperidinyl)-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 4-(4-morpholinylsulfonyl)benzoate [ACD/IUPAC Name]
4-(4-Morpholinylsulfonyl)benzoate de 3-[1,3-dioxo-6-(1-pipéridinyl)-1H-benzo[de]isoquinoléin-2(3H)-yl]propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(4-morpholinylsulfonyl)-, 3-[1,3-dioxo-6-(1-piperidinyl)-1H-benz[de]isoquinolin-2(3H)-yl]propyl ester [ACD/Index Name]
3-(1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl)propyl 4-(morpholinosulfonyl)benzoate
3-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)propyl 4-morpholin-4-ylsulfonylbenzoate
3-[2,4-dioxo-10-(piperidin-1-yl)-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]propyl 4-(morpholine-4-sulfonyl)benzoate
313252-54-9 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 801.6±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 116.6±3.0 kJ/mol
    Flash Point: 438.6±37.1 °C
    Index of Refraction: 1.646
    Molar Refractivity: 156.6±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 3.75
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 433.59
    ACD/KOC (pH 5.5): 2679.06
    ACD/LogD (pH 7.4): 3.78
    ACD/BCF (pH 7.4): 437.93
    ACD/KOC (pH 7.4): 2705.86
    Polar Surface Area: 122 Å2
    Polarizability: 62.1±0.5 10-24cm3
    Surface Tension: 60.6±3.0 dyne/cm
    Molar Volume: 431.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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