ChemSpider 2D Image | (4R)-3-(5-Fluoro-2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C26H22FN3O3

(4R)-3-(5-Fluoro-2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC26H22FN3O3
  • Average mass443.470 Da
  • Monoisotopic mass443.164520 Da
  • ChemSpider ID62585706

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-3-(5-Fluor-2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
(4R)-3-(5-Fluor-2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-on [German] [ACD/IUPAC Name]
(4R)-3-(5-Fluoro-2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
(4R)-3-(5-Fluoro-2-hydroxyphényl)-5-[2-(4-méthoxyphényl)éthyl]-4-phényl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
(4R)-3-(5-Fluoro-2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [ACD/IUPAC Name]
(4R)-3-(5-Fluoro-2-hydroxyphényl)-5-[2-(4-méthoxyphényl)éthyl]-4-phényl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(5-fluoro-2-hydroxyphenyl)-4,5-dihydro-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-, (4R)- [ACD/Index Name]
Pyrrolo[3,4-c]pyrazol-6(2H)-one, 3-(5-fluoro-2-hydroxyphenyl)-4,5-dihydro-5-[2-(4-methoxyphenyl)ethyl]-4-phenyl-, (4R)- [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: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 370.4±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 617.75
ACD/KOC (pH 5.5): 3461.31
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 608.32
ACD/KOC (pH 7.4): 3408.49
Polar Surface Area: 78 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 332.0±3.0 cm3

Click to predict properties on the Chemicalize site


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