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Search term: FLNASPMZRNYEQE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-{3-Amino-4-fluoro-1-[3-(5-fluoro-3-pyridinyl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methyl-2(1H)-pyridinone | C27H22F2N4O

5-{3-Amino-4-fluoro-1-[3-(5-fluoro-3-pyridinyl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methyl-2(1H)-pyridinone

  • Molecular FormulaC27H22F2N4O
  • Average mass456.487 Da
  • Monoisotopic mass456.176178 Da
  • ChemSpider ID28669335

More details:

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

2(1H)-Pyridinone, 5-[3-amino-4-fluoro-1-[3-(5-fluoro-3-pyridinyl)phenyl]-1H-isoindol-1-yl]-1-ethyl-3-methyl- [ACD/Index Name]
5-{3-Amino-4-fluor-1-[3-(5-fluor-3-pyridinyl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
5-{3-Amino-4-fluoro-1-[3-(5-fluoro-3-pyridinyl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methyl-2(1H)-pyridinone [ACD/IUPAC Name]
5-{3-Amino-4-fluoro-1-[3-(5-fluoro-3-pyridinyl)phényl]-1H-isoindol-1-yl}-1-éthyl-3-méthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.94
ACD/KOC (pH 5.5): 1845.44
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.96
ACD/KOC (pH 7.4): 1888.37
Polar Surface Area: 72 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 347.9±7.0 cm3

Click to predict properties on the Chemicalize site


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