ChemSpider 2D Image | MRE 2029F20 | C24H27N7O6

MRE 2029F20

  • Molecular FormulaC24H27N7O6
  • Average mass509.514 Da
  • Monoisotopic mass509.202271 Da
  • ChemSpider ID19920712

More details:

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

Acetamide, N-1,3-benzodioxol-5-yl-2-[[1-methyl-5-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-1H-pyrazol-3-yl]oxy]- [ACD/Index Name]
MRE 2029F20
N-(1,3-Benzodioxol-5-yl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tétrahydro-1H-purin-8-yl)-1-méthyl-1H-pyrazol-3-yl]oxy}acétamide [French] [ACD/IUPAC Name]
574753-99-4 [RN]
ACETAMIDE, N-1,3-BENZODIOXOL-5-YL-2-[[1-METHYL-5-(2,3,6,7-TETRAHYDRO-2,6-DIOXO-1,3- DIPROPYL-1H-PURIN-8-YL)-1H-PYRAZOL-3-YL]OXY]-
Acetamide, N-1,3-benzodioxol-5-yl-2-[[1-methyl-5-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-1H-pyrazol-3-yl]oxy]- (9CI)
CHEMBL260331
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL260331/
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.81
ACD/KOC (pH 5.5): 594.72
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 41.68
ACD/KOC (pH 7.4): 469.41
Polar Surface Area: 144 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 335.7±7.0 cm3

Click to predict properties on the Chemicalize site


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