ChemSpider 2D Image | N-(1-{[2-(6-Fluoro-1-methyl-1H-indol-3-yl)ethyl]amino}-3-hydroxy-1-oxo-2-propanyl)-2-methyl-3,5-dinitrobenzamide | C22H22FN5O7

N-(1-{[2-(6-Fluoro-1-methyl-1H-indol-3-yl)ethyl]amino}-3-hydroxy-1-oxo-2-propanyl)-2-methyl-3,5-dinitrobenzamide

  • Molecular FormulaC22H22FN5O7
  • Average mass487.438 Da
  • Monoisotopic mass487.150330 Da
  • ChemSpider ID121179671

More details:

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

Benzamide, N-[2-[[2-(6-fluoro-1-methyl-1H-indol-3-yl)ethyl]amino]-1-(hydroxymethyl)-2-oxoethyl]-2-methyl-3,5-dinitro- [ACD/Index Name]
N-(1-{[2-(6-Fluor-1-methyl-1H-indol-3-yl)ethyl]amino}-3-hydroxy-1-oxo-2-propanyl)-2-methyl-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-(1-{[2-(6-Fluoro-1-methyl-1H-indol-3-yl)ethyl]amino}-3-hydroxy-1-oxo-2-propanyl)-2-methyl-3,5-dinitrobenzamide [ACD/IUPAC Name]
N-(1-{[2-(6-Fluoro-1-méthyl-1H-indol-3-yl)éthyl]amino}-3-hydroxy-1-oxo-2-propanyl)-2-méthyl-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 751.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.2±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 119.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.37
ACD/KOC (pH 5.5): 455.86
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.36
ACD/KOC (pH 7.4): 455.64
Polar Surface Area: 175 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 324.7±7.0 cm3

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