ChemSpider 2D Image | 1,5-Anhydro-2,4-dideoxy-2-{4-fluoro-5-methyl-1-oxo-6-[4-(1H-pyrazol-1-yl)benzyl]-1,3-dihydro-2H-isoindol-2-yl}-L-threo-pentitol | C24H24FN3O3

1,5-Anhydro-2,4-dideoxy-2-{4-fluoro-5-methyl-1-oxo-6-[4-(1H-pyrazol-1-yl)benzyl]-1,3-dihydro-2H-isoindol-2-yl}-L-threo-pentitol

  • Molecular FormulaC24H24FN3O3
  • Average mass421.464 Da
  • Monoisotopic mass421.180176 Da
  • ChemSpider ID72380183

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,4-dideoxy-2-{4-fluoro-5-methyl-1-oxo-6-[4-(1H-pyrazol-1-yl)benzyl]-1,3-dihydro-2H-isoindol-2-yl}-L-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-2-{4-fluor-5-methyl-1-oxo-6-[4-(1H-pyrazol-1-yl)benzyl]-1,3-dihydro-2H-isoindol-2-yl}-L-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-2-{4-fluoro-5-méthyl-1-oxo-6-[4-(1H-pyrazol-1-yl)benzyl]-1,3-dihydro-2H-isoindol-2-yl}-L-thréo-pentitol [French] [ACD/IUPAC Name]
L-threo-Pentitol, 1,5-anhydro-2,4-dideoxy-2-[4-fluoro-1,3-dihydro-5-methyl-1-oxo-6-[[4-(1H-pyrazol-1-yl)phenyl]methyl]-2H-isoindol-2-yl]- [ACD/Index Name]
1820812-16-5 [RN]
4-fluoro-2-[(3S,4S)-4-hydroxyoxan-3-yl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
TAK-071
Unii-59XC9G796Y

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 103.85
ACD/KOC (pH 5.5): 965.92
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.85
ACD/KOC (pH 7.4): 965.93
Polar Surface Area: 68 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 305.5±7.0 cm3

Click to predict properties on the Chemicalize site


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