Found 1 result

Search term: MPKZAVFMYJALAY-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-(1-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-pyrazol-4-yl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione | C23H23ClN8O3

8-(1-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-pyrazol-4-yl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC23H23ClN8O3
  • Average mass494.934 Da
  • Monoisotopic mass494.158173 Da
  • ChemSpider ID23265004

More details:

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

1H-Purine-2,6-dione, 8-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazol-4-yl]-3,9-dihydro-1,3-dipropyl- [ACD/Index Name]
8-(1-{[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-pyrazol-4-yl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(1-{[3-(2-Chlorophényl)-1,2,4-oxadiazol-5-yl]méthyl}-1H-pyrazol-4-yl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
8-(1-{[3-(2-Chlorphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-pyrazol-4-yl)-1,3-dipropyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(1-((3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CHEMBL200370

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.5±35.7 °C
Index of Refraction: 1.736
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 761.32
ACD/KOC (pH 5.5): 4016.11
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 601.51
ACD/KOC (pH 7.4): 3173.08
Polar Surface Area: 126 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 324.4±7.0 cm3

Click to predict properties on the Chemicalize site


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