ChemSpider 2D Image | Methyl 2-{[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate | C21H21N5O7

Methyl 2-{[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate

  • Molecular FormulaC21H21N5O7
  • Average mass455.421 Da
  • Monoisotopic mass455.144104 Da
  • ChemSpider ID22728478

More details:

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

2-{[1-(2-Méthoxyéthyl)-3-(2-méthoxyphényl)-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl]méthyl}-1,3-oxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Oxazolecarboxylic acid, 2-[[1,2,3,6-tetrahydro-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,6-dioxo-7H-purin-7-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-{[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazole-4-carboxylate [ACD/IUPAC Name]
Methyl-2-{[1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}-1,3-oxazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.0±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.95
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 83.84
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 83.84
Polar Surface Area: 129 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 313.3±7.0 cm3

Click to predict properties on the Chemicalize site


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