ChemSpider 2D Image | 4-Methyl-N-(2-{[2-(6-methyl-2-oxo-1,2-dihydro-3-quinolinyl)ethyl]amino}-2-oxo-1-phenylethyl)-3,5-dinitrobenzamide | C28H25N5O7

4-Methyl-N-(2-{[2-(6-methyl-2-oxo-1,2-dihydro-3-quinolinyl)ethyl]amino}-2-oxo-1-phenylethyl)-3,5-dinitrobenzamide

  • Molecular FormulaC28H25N5O7
  • Average mass543.527 Da
  • Monoisotopic mass543.175415 Da
  • ChemSpider ID121137100

More details:

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

4-Methyl-N-(2-{[2-(6-methyl-2-oxo-1,2-dihydro-3-chinolinyl)ethyl]amino}-2-oxo-1-phenylethyl)-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
4-Méthyl-N-(2-{[2-(6-méthyl-2-oxo-1,2-dihydro-3-quinoléinyl)éthyl]amino}-2-oxo-1-phényléthyl)-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]
4-Methyl-N-(2-{[2-(6-methyl-2-oxo-1,2-dihydro-3-quinolinyl)ethyl]amino}-2-oxo-1-phenylethyl)-3,5-dinitrobenzamide [ACD/IUPAC Name]
Benzeneacetamide, N-[2-(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)ethyl]-α-[(4-methyl-3,5-dinitrobenzoyl)amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 810.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 443.7±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.45
ACD/KOC (pH 5.5): 2129.93
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.30
ACD/KOC (pH 7.4): 2128.88
Polar Surface Area: 179 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 399.0±3.0 cm3

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