ChemSpider 2D Image | 3-[{5-Fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}(methyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid | C24H20F2N6O3

3-[{5-Fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}(methyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid

  • Molecular FormulaC24H20F2N6O3
  • Average mass478.451 Da
  • Monoisotopic mass478.156494 Da
  • ChemSpider ID128975023

More details:

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

3-[{5-Fluor-2-[1-(2-fluorbenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}(methyl)amino]bicyclo[1.1.1]pentan-1-carbonsäure [German] [ACD/IUPAC Name]
3-[{5-Fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}(methyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-[{5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}(méthyl)amino]bicyclo[1.1.1]pentane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinyl]methylamino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.731
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 20.41
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 304.5±7.0 cm3

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