ChemSpider 2D Image | N-[(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]-3-(2-fluorophenyl)-4-methyl-5-oxo-2-morpholinecarboxamide | C20H21FN6O5

N-[(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]-3-(2-fluorophenyl)-4-methyl-5-oxo-2-morpholinecarboxamide

  • Molecular FormulaC20H21FN6O5
  • Average mass444.416 Da
  • Monoisotopic mass444.155731 Da
  • ChemSpider ID62243816

More details:

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

2-Morpholinecarboxamide, 3-(2-fluorophenyl)-4-methyl-5-oxo-N-[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)methyl]- [ACD/Index Name]
N-[(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]-3-(2-fluorophenyl)-4-methyl-5-oxo-2-morpholinecarboxamide [ACD/IUPAC Name]
N-[(1,3-Diméthyl-2,6-dioxo-2,3,6,9-tétrahydro-1H-purin-8-yl)méthyl]-3-(2-fluorophényl)-4-méthyl-5-oxo-2-morpholinecarboxamide [French] [ACD/IUPAC Name]
N-[(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methyl]-3-(2-fluorphenyl)-4-methyl-5-oxo-2-morpholincarboxamid [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: 1.613
Molar Refractivity: 107.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.14
ACD/LogD (pH 7.4): -0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.31
Polar Surface Area: 128 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 307.7±3.0 cm3

Click to predict properties on the Chemicalize site


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