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Search term: PPGYKWQFGNLYIY-AWEZNQCLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3,4-dihydropyrazolo[3,4,5-de]isoquinolin-5(1H)-one | C16H18N4O

4-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3,4-dihydropyrazolo[3,4,5-de]isoquinolin-5(1H)-one

  • Molecular FormulaC16H18N4O
  • Average mass282.340 Da
  • Monoisotopic mass282.148071 Da
  • ChemSpider ID26376087

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3,4-dihydropyrazolo[3,4,5-de]isochinolin-5(1H)-on [German] [ACD/IUPAC Name]
4-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3,4-dihydropyrazolo[3,4,5-de]isoquinoléin-5(1H)-one [French] [ACD/IUPAC Name]
4-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-3,4-dihydropyrazolo[3,4,5-de]isoquinolin-5(1H)-one [ACD/IUPAC Name]
Pyrazolo[3,4,5-de]isoquinolin-5(1H)-one, 4-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-3,4-dihydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.7±30.1 °C
Index of Refraction: 1.733
Molar Refractivity: 79.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 198.3±5.0 cm3

Click to predict properties on the Chemicalize site


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