ChemSpider 2D Image | N-{2-[(2,6-Difluorophenyl)amino]-2-oxoethyl}-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-ethylbutanamide | C26H23F2N3O4

N-{2-[(2,6-Difluorophenyl)amino]-2-oxoethyl}-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-ethylbutanamide

  • Molecular FormulaC26H23F2N3O4
  • Average mass479.475 Da
  • Monoisotopic mass479.165649 Da
  • ChemSpider ID22437785

More details:

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

1H-Benz[de]isoquinoline-2(3H)-butanamide, N-[2-[(2,6-difluorophenyl)amino]-2-oxoethyl]-N-ethyl-1,3-dioxo- [ACD/Index Name]
N-{2-[(2,6-Difluorophényl)amino]-2-oxoéthyl}-4-(1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)-N-éthylbutanamide [French] [ACD/IUPAC Name]
N-{2-[(2,6-Difluorophenyl)amino]-2-oxoethyl}-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-ethylbutanamide [ACD/IUPAC Name]
N-{2-[(2,6-Difluorphenyl)amino]-2-oxoethyl}-4-(1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)-N-ethylbutanamid [German] [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: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.53
ACD/KOC (pH 5.5): 1235.90
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.50
ACD/KOC (pH 7.4): 1235.61
Polar Surface Area: 87 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 347.1±3.0 cm3

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