ChemSpider 2D Image | N-[1-(8-Fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-1-naphthamide | C32H27F2N3O3

N-[1-(8-Fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-1-naphthamide

  • Molecular FormulaC32H27F2N3O3
  • Average mass539.572 Da
  • Monoisotopic mass539.202026 Da
  • ChemSpider ID122202993

More details:

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

1-Naphthalenecarboxamide, N-[2-(8-fluoro-1,3,4,6,7,11b-hexahydro-4-oxo-2H-pyrazino[2,1-a]isoquinolin-2-yl)-1-[(4-fluorophenyl)methyl]-2-oxoethyl]- [ACD/Index Name]
N-[1-(8-Fluor-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-2-yl)-3-(4-fluorphenyl)-1-oxo-2-propanyl]-1-naphthamid [German] [ACD/IUPAC Name]
N-[1-(8-Fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-2-yl)-3-(4-fluorophényl)-1-oxo-2-propanyl]-1-naphtamide [French] [ACD/IUPAC Name]
N-[1-(8-Fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]-1-naphthamide [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: 828.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 454.7±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1775.46
ACD/KOC (pH 5.5): 7369.77
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1775.45
ACD/KOC (pH 7.4): 7369.74
Polar Surface Area: 70 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 387.7±5.0 cm3

Click to predict properties on the Chemicalize site


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