ChemSpider 2D Image | (3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 2-amino-4-fluorobenzoate | C18H20FN5O4

(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 2-amino-4-fluorobenzoate

  • Molecular FormulaC18H20FN5O4
  • Average mass389.381 Da
  • Monoisotopic mass389.149933 Da
  • ChemSpider ID30593300

More details:






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

(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 2-amino-4-fluorobenzoate [ACD/IUPAC Name]
(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl-2-amino-4-fluorbenzoat [German] [ACD/IUPAC Name]
2-Amino-4-fluorobenzoate de (3-butyl-7-méthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-amino-4-fluoro-, (3-butyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-1H-purin-8-yl)methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 97.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.75
ACD/KOC (pH 5.5): 294.43
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.63
ACD/KOC (pH 7.4): 292.65
Polar Surface Area: 120 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 264.0±7.0 cm3

Click to predict properties on the Chemicalize site






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