ChemSpider 2D Image | Methyl 4-(2-fluoro-3-{[(6-methyl-3-pyridinyl)carbamoyl]amino}benzyl)-1-(~2~H_8_)piperazinecarboxylate | C20H16D8FN5O3

Methyl 4-(2-fluoro-3-{[(6-methyl-3-pyridinyl)carbamoyl]amino}benzyl)-1-(2H8)piperazinecarboxylate

  • Molecular FormulaC20H16D8FN5O3
  • Average mass409.484 Da
  • Monoisotopic mass409.236542 Da
  • ChemSpider ID58778734

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Piperazine-2,2,3,3,5,5,6,6-d8-carboxylic acid, 4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]carbonyl]amino]phenyl]methyl]-, methyl ester [ACD/Index Name]
4-(2-Fluoro-3-{[(6-méthyl-3-pyridinyl)carbamoyl]amino}benzyl)-1-(2H8)pipérazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(2-fluoro-3-{[(6-methyl-3-pyridinyl)carbamoyl]amino}benzyl)-1-(2H8)piperazinecarboxylate [ACD/IUPAC Name]
Methyl-4-(2-fluor-3-{[(6-methyl-3-pyridinyl)carbamoyl]amino}benzyl)-1-(2H8)piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 456.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.1±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 29.43
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.80
ACD/KOC (pH 7.4): 188.68
Polar Surface Area: 87 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 298.6±3.0 cm3

Click to predict properties on the Chemicalize site


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