ChemSpider 2D Image | Methyl 2-[({3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzoate | C28H22F2N4O4

Methyl 2-[({3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzoate

  • Molecular FormulaC28H22F2N4O4
  • Average mass516.495 Da
  • Monoisotopic mass516.160889 Da
  • ChemSpider ID22599004

More details:

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

2-[({3-[1-(2,5-Difluorophényl)-5-méthyl-1H-pyrazol-3-yl]-2-méthyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]oxy]methyl]-, methyl ester [ACD/Index Name]
Methyl 2-[({3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzoate [ACD/IUPAC Name]
Methyl-2-[({3-[1-(2,5-difluorphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)methyl]benzoat [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: 697.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.7±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1484.89
ACD/KOC (pH 5.5): 6484.76
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1484.93
ACD/KOC (pH 7.4): 6484.92
Polar Surface Area: 86 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 381.8±7.0 cm3

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