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Search term: KVSPYEYQFMGJNK-GXTWGEPZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-({3-[(3R,5R)-5-(4-Fluorophenyl)tetrahydro-3-furanyl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one | C19H17FN6O3

1-({3-[(3R,5R)-5-(4-Fluorophenyl)tetrahydro-3-furanyl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one

  • Molecular FormulaC19H17FN6O3
  • Average mass396.375 Da
  • Monoisotopic mass396.134613 Da
  • ChemSpider ID129110084

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-({3-[(3R,5R)-5-(4-Fluorophenyl)tetrahydro-3-furanyl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one [ACD/IUPAC Name]
1-({3-[(3R,5R)-5-(4-Fluorophényl)tétrahydro-3-furanyl]-1,2,4-oxadiazol-5-yl}méthyl)-7-méthyl-1,7-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
1-({3-[(3R,5R)-5-(4-Fluorphenyl)tetrahydro-3-furanyl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
6H-Purin-6-one, 1-[[3-[(3R,5R)-5-(4-fluorophenyl)tetrahydro-3-furanyl]-1,2,4-oxadiazol-5-yl]methyl]-1,7-dihydro-7-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 680.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.4±34.3 °C
Index of Refraction: 1.746
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 40.41
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 40.44
Polar Surface Area: 99 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 248.4±7.0 cm3

Click to predict properties on the Chemicalize site


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