ChemSpider 2D Image | N-{[4-Fluoro(~2~H_4_)phenyl](~2~H_2_)methyl}-5-hydroxy-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide | C20H15D6FN6O5

N-{[4-Fluoro(2H4)phenyl](2H2)methyl}-5-hydroxy-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide

  • Molecular FormulaC20H15D6FN6O5
  • Average mass450.453 Da
  • Monoisotopic mass450.193420 Da
  • ChemSpider ID57563745

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Pyrimidinecarboxamide, N-[(4-fluorophenyl-2,3,5,6-d4)methyl-d2]-1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxo- [ACD/Index Name]
N-{[4-Fluor(2H4)phenyl](2H2)methyl}-5-hydroxy-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-{[4-Fluoro(2H4)phenyl](2H2)methyl}-5-hydroxy-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide [ACD/IUPAC Name]
N-{[4-Fluoro(2H4)phényl](2H2)méthyl}-5-hydroxy-1-méthyl-2-(2-{[(5-méthyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}-2-propanyl)-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
1100750-98-8 [RN]
N-{[4-Fluoro(2H4)phenyl](2H2)methyl}-5-hydroxy-1-methyl-2-{2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 303.5±7.0 cm3

Click to predict properties on the Chemicalize site


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