Found 1 result

Search term: VAUWUKVZPXCDOH-NDEPHWFRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-{3-[(1R)-3-Amino-1-(1-ethyl-5-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-4-fluoro-1H-isoindol-1-yl]phenyl}nicotinonitrile | C28H22FN5O

5-{3-[(1R)-3-Amino-1-(1-ethyl-5-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-4-fluoro-1H-isoindol-1-yl]phenyl}nicotinonitrile

  • Molecular FormulaC28H22FN5O
  • Average mass463.506 Da
  • Monoisotopic mass463.180847 Da
  • ChemSpider ID28664488

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarbonitrile, 5-[3-[(1R)-3-amino-1-(1-ethyl-1,6-dihydro-5-methyl-6-oxo-3-pyridinyl)-4-fluoro-1H-isoindol-1-yl]phenyl]- [ACD/Index Name]
5-{3-[(1R)-3-Amino-1-(1-ethyl-5-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-4-fluor-1H-isoindol-1-yl]phenyl}nicotinonitril [German] [ACD/IUPAC Name]
5-{3-[(1R)-3-Amino-1-(1-ethyl-5-methyl-6-oxo-1,6-dihydro-3-pyridinyl)-4-fluoro-1H-isoindol-1-yl]phenyl}nicotinonitrile [ACD/IUPAC Name]
5-{3-[(1R)-3-Amino-1-(1-éthyl-5-méthyl-6-oxo-1,6-dihydro-3-pyridinyl)-4-fluoro-1H-isoindol-1-yl]phényl}nicotinonitrile [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: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.6±35.7 °C
Index of Refraction: 1.670
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.12
ACD/KOC (pH 5.5): 1733.10
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.45
ACD/KOC (pH 7.4): 1772.07
Polar Surface Area: 95 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 357.8±7.0 cm3

Click to predict properties on the Chemicalize site


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