ChemSpider 2D Image | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide | C17H18N8O4

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

  • Molecular FormulaC17H18N8O4
  • Average mass398.376 Da
  • Monoisotopic mass398.145111 Da
  • ChemSpider ID35008138

More details:

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

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamid [German] [ACD/IUPAC Name]
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide [ACD/IUPAC Name]
2-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-N-{[3-(1-méthyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]méthyl}acétamide [French] [ACD/IUPAC Name]
7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-N-[[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dioxo- [ACD/Index Name]
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-{[3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-((3-(1-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
2034271-42-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.753
Molar Refractivity: 102.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.18
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.18
Polar Surface Area: 131 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 69.3±7.0 dyne/cm
Molar Volume: 249.8±7.0 cm3

Click to predict properties on the Chemicalize site


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