ChemSpider 2D Image | N-[3-(2-Fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydro-6-isoquinolinyl)succinamide | C21H18FN3O6

N-[3-(2-Fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydro-6-isoquinolinyl)succinamide

  • Molecular FormulaC21H18FN3O6
  • Average mass427.383 Da
  • Monoisotopic mass427.117950 Da
  • ChemSpider ID25058808

More details:






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

Butanediamide, N1-[3-(2-fluoroethoxy)phenyl]-N4-(1,2,3,4-tetrahydro-1,3,4-trioxo-6-isoquinolinyl)- [ACD/Index Name]
N-[3-(2-Fluorethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydro-6-isochinolinyl)succinamid [German] [ACD/IUPAC Name]
N-[3-(2-Fluoroéthoxy)phényl]-N'-(1,3,4-trioxo-1,2,3,4-tétrahydro-6-isoquinoléinyl)succinamide [French] [ACD/IUPAC Name]
N-[3-(2-Fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydro-6-isoquinolinyl)succinamide [ACD/IUPAC Name]
N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-2H-isoquinolin-6-yl)succinamide
RXD

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 72.72
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.52
ACD/KOC (pH 7.4): 65.34
Polar Surface Area: 131 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 294.8±3.0 cm3

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