ChemSpider 2D Image | (4R,6S)-6-{(E)-2-[5-(4-Fluorophenyl)-3-isopropyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one | C24H24FN3O3

(4R,6S)-6-{(E)-2-[5-(4-Fluorophenyl)-3-isopropyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one

  • Molecular FormulaC24H24FN3O3
  • Average mass421.464 Da
  • Monoisotopic mass421.180176 Da
  • ChemSpider ID18600183

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,6S)-6-{(E)-2-[5-(4-Fluorophenyl)-3-isopropyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4R,6S)-6-{(E)-2-[5-(4-Fluorophényl)-3-isopropyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]vinyl}-4-hydroxytétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
(4R,6S)-6-{(E)-2-[5-(4-Fluorphenyl)-3-isopropyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]vinyl}-4-hydroxytetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(E)-2-[5-(4-fluorophenyl)-3-(1-methylethyl)-1-(2-pyridinyl)-1H-pyrazol-4-yl]ethenyl]tetrahydro-4-hydroxy-, (4R,6S)- [ACD/Index 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: 653.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.0±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.52
ACD/KOC (pH 5.5): 902.99
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.53
ACD/KOC (pH 7.4): 903.05
Polar Surface Area: 77 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 327.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement