Found 1 result

Search term: GYCPBMYHPVDKFK-QFIPXVFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{3-Fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl}-1-[(2S)-2-hydroxybutyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | C31H29FN4O5

N-{3-Fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl}-1-[(2S)-2-hydroxybutyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

  • Molecular FormulaC31H29FN4O5
  • Average mass556.584 Da
  • Monoisotopic mass556.212219 Da
  • ChemSpider ID28530607

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrazole-4-carboxamide, N-[3-fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl]-2,3-dihydro-1-[(2S)-2-hydroxybutyl]-5-methyl-3-oxo-2-phenyl- [ACD/Index Name]
N-{3-Fluor-4-[(7-methoxy-4-chinolinyl)oxy]phenyl}-1-[(2S)-2-hydroxybutyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-{3-Fluoro-4-[(7-méthoxy-4-quinoléinyl)oxy]phényl}-1-[(2S)-2-hydroxybutyl]-5-méthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-{3-Fluoro-4-[(7-methoxy-4-quinolinyl)oxy]phenyl}-1-[(2S)-2-hydroxybutyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 152.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 170.07
ACD/KOC (pH 5.5): 1200.63
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 271.86
ACD/KOC (pH 7.4): 1919.24
Polar Surface Area: 104 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 414.0±3.0 cm3

Click to predict properties on the Chemicalize site


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