ChemSpider 2D Image | 1-[2-(Dimethylamino)ethyl]-5-[(4-fluorobenzyl)oxy]-2-{[(4-iodophenyl)amino]methyl}-4(1H)-pyridinone | C23H25FIN3O2

1-[2-(Dimethylamino)ethyl]-5-[(4-fluorobenzyl)oxy]-2-{[(4-iodophenyl)amino]methyl}-4(1H)-pyridinone

  • Molecular FormulaC23H25FIN3O2
  • Average mass521.366 Da
  • Monoisotopic mass521.097534 Da
  • ChemSpider ID124180745

More details:

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

1-[2-(Dimethylamino)ethyl]-5-[(4-fluorbenzyl)oxy]-2-{[(4-iodphenyl)amino]methyl}-4(1H)-pyridinon [German] [ACD/IUPAC Name]
1-[2-(Dimethylamino)ethyl]-5-[(4-fluorobenzyl)oxy]-2-{[(4-iodophenyl)amino]methyl}-4(1H)-pyridinone [ACD/IUPAC Name]
1-[2-(Diméthylamino)éthyl]-5-[(4-fluorobenzyl)oxy]-2-{[(4-iodophényl)amino]méthyl}-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 1-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methoxy]-2-[[(4-iodophenyl)amino]methyl]- [ACD/Index 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: 616.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.6±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 5.73
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 39.13
ACD/KOC (pH 7.4): 210.36
Polar Surface Area: 45 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 344.4±5.0 cm3

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