Found 1 result

Search term: CLEFVPILGAPOTG-NSHDSACASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-{(1S)-1-[(2-Amino-6-fluoro-3-quinolinyl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-2(1H)-pyridinone | C19H16FN5O2

6-{(1S)-1-[(2-Amino-6-fluoro-3-quinolinyl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-2(1H)-pyridinone

  • Molecular FormulaC19H16FN5O2
  • Average mass365.361 Da
  • Monoisotopic mass365.128815 Da
  • ChemSpider ID115040920

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Pyridinone, 6-[(1S)-1-[(2-amino-6-fluoro-3-quinolinyl)oxy]ethyl]-5-(1H-pyrazol-1-yl)- [ACD/Index Name]
6-{(1S)-1-[(2-Amino-6-fluor-3-chinolinyl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-2(1H)-pyridinon [German] [ACD/IUPAC Name]
6-{(1S)-1-[(2-Amino-6-fluoro-3-quinoléinyl)oxy]éthyl}-5-(1H-pyrazol-1-yl)-2(1H)-pyridinone [French] [ACD/IUPAC Name]
6-{(1S)-1-[(2-Amino-6-fluoro-3-quinolinyl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-2(1H)-pyridinone [ACD/IUPAC 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: 555.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.8±30.1 °C
Index of Refraction: 1.696
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.23
ACD/KOC (pH 5.5): 222.72
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.18
ACD/KOC (pH 7.4): 221.82
Polar Surface Area: 95 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 251.8±7.0 cm3

Click to predict properties on the Chemicalize site


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