Found 40 results

Search term: MF = 'C_{25}H_{28}FN_{5}O_{6}'
ChemSpider 2D Image | N-[1-(8-Fluoro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-methyl-1-oxo-2-butanyl]-2-methyl-3,5-dinitrobenzamide | C25H28FN5O6

N-[1-(8-Fluoro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-methyl-1-oxo-2-butanyl]-2-methyl-3,5-dinitrobenzamide

  • Molecular FormulaC25H28FN5O6
  • Average mass513.518 Da
  • Monoisotopic mass513.202332 Da
  • ChemSpider ID122262806

More details:

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

Benzamide, N-[1-[(8-fluoro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)carbonyl]-1-methylpropyl]-2-methyl-3,5-dinitro- [ACD/Index Name]
N-[1-(8-Fluor-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-2-yl)-2-methyl-1-oxo-2-butanyl]-2-methyl-3,5-dinitrobenzamid [German] [ACD/IUPAC Name]
N-[1-(8-Fluoro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-2-yl)-2-méthyl-1-oxo-2-butanyl]-2-méthyl-3,5-dinitrobenzamide [French] [ACD/IUPAC Name]
N-[1-(8-Fluoro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-methyl-1-oxo-2-butanyl]-2-methyl-3,5-dinitrobenzamide [ACD/IUPAC 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: 650.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.5±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 30.88
ACD/KOC (pH 5.5): 214.70
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 261.40
ACD/KOC (pH 7.4): 1817.47
Polar Surface Area: 144 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 364.9±5.0 cm3

Click to predict properties on the Chemicalize site


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