ChemSpider 2D Image | N-[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(2-ethoxyphenyl)-2,4-dinitrobenzamide | C30H24N4O8

N-[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(2-ethoxyphenyl)-2,4-dinitrobenzamide

  • Molecular FormulaC30H24N4O8
  • Average mass568.534 Da
  • Monoisotopic mass568.159424 Da
  • ChemSpider ID3105205

More details:

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

Benzamide, N-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-N-(2-ethoxyphenyl)-2,4-dinitro- [ACD/Index Name]
N-[3-(1,3-Dioxo-1H-benzo[de]isochinolin-2(3H)-yl)propyl]-N-(2-ethoxyphenyl)-2,4-dinitrobenzamid [German] [ACD/IUPAC Name]
N-[3-(1,3-Dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)propyl]-N-(2-éthoxyphényl)-2,4-dinitrobenzamide [French] [ACD/IUPAC Name]
N-[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(2-ethoxyphenyl)-2,4-dinitrobenzamide [ACD/IUPAC Name]

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

ZINC04256933 [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: 792.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.9±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 152.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 403.26
ACD/KOC (pH 5.5): 2550.85
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 403.26
ACD/KOC (pH 7.4): 2550.85
Polar Surface Area: 159 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 396.8±3.0 cm3

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