ChemSpider 2D Image | Methyl 3-{[(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]amino}-3-(4-fluorophenyl)propanoate | C19H20FN5O5

Methyl 3-{[(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]amino}-3-(4-fluorophenyl)propanoate

  • Molecular FormulaC19H20FN5O5
  • Average mass417.391 Da
  • Monoisotopic mass417.144836 Da
  • ChemSpider ID70264073

More details:

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

3-{[2-(3,7-Diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-1-yl)acétyl]amino}-3-(4-fluorophényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-fluoro-β-[[2-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-{[(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]amino}-3-(4-fluorophenyl)propanoate [ACD/IUPAC Name]
Methyl-3-{[(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]amino}-3-(4-fluorphenyl)propanoat [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 104.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.35
ACD/KOC (pH 5.5): 99.68
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.35
ACD/KOC (pH 7.4): 99.68
Polar Surface Area: 114 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 290.4±7.0 cm3

Click to predict properties on the Chemicalize site


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