ChemSpider 2D Image | Ethyl [3-(3-fluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate | C18H19FN4O5

Ethyl [3-(3-fluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate

  • Molecular FormulaC18H19FN4O5
  • Average mass390.366 Da
  • Monoisotopic mass390.133942 Da
  • ChemSpider ID22713325

More details:

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

[3-(3-Fluorophényl)-1-(2-méthoxyéthyl)-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 3-(3-fluorophenyl)-1,2,3,6-tetrahydro-1-(2-methoxyethyl)-2,6-dioxo-, ethyl ester [ACD/Index Name]
Ethyl [3-(3-fluorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate [ACD/IUPAC Name]
Ethyl-[3-(3-fluorphenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 590.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 311.0±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 97.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.11
ACD/KOC (pH 5.5): 169.17
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.11
ACD/KOC (pH 7.4): 169.17
Polar Surface Area: 94 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 279.8±7.0 cm3

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