ChemSpider 2D Image | 2-[6-(4-Morpholinyl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(diethylsulfamoyl)benzoate | C29H31N3O7S

2-[6-(4-Morpholinyl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(diethylsulfamoyl)benzoate

  • Molecular FormulaC29H31N3O7S
  • Average mass565.637 Da
  • Monoisotopic mass565.188293 Da
  • ChemSpider ID2678774

More details:

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

2-[6-(4-Morpholinyl)-1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl]ethyl-4-(diethylsulfamoyl)benzoat [German] [ACD/IUPAC Name]
2-[6-(4-Morpholinyl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-(diethylsulfamoyl)benzoate [ACD/IUPAC Name]
4-(Diéthylsulfamoyl)benzoate de 2-[6-(4-morpholinyl)-1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl]éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(diethylamino)sulfonyl]-, 2-[6-(4-morpholinyl)-1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl]ethyl ester [ACD/Index Name]
2-(6-morpholino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 4-(N,N-diethylsulfamoyl)benzoate
4-(diethylsulfamoyl)benzoic acid 2-(1,3-diketo-6-morpholino-benzo[de]isoquinolin-2-yl)ethyl ester

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

ChemDiv1_001408 [DBID]
MLS000724750 [DBID]
SMR000237621 [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: 767.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.7±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 308.14
ACD/KOC (pH 5.5): 2103.74
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 308.27
ACD/KOC (pH 7.4): 2104.68
Polar Surface Area: 122 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 418.4±3.0 cm3

Click to predict properties on the Chemicalize site


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