ChemSpider 2D Image | 3-[1-(2,5-Difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-9-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C28H22F2N4O4

3-[1-(2,5-Difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-9-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC28H22F2N4O4
  • Average mass516.495 Da
  • Monoisotopic mass516.160889 Da
  • ChemSpider ID22785771

More details:

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

3-[1-(2,5-Difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-9-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-[1-(2,5-Difluorophényl)-5-méthyl-1H-pyrazol-3-yl]-9-[2-(4-méthoxyphényl)-2-oxoéthoxy]-2-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-[1-(2,5-Difluorphenyl)-5-methyl-1H-pyrazol-3-yl]-9-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[1-(2,5-difluorophenyl)-5-methyl-1H-pyrazol-3-yl]-9-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-methyl- [ACD/Index 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: 717.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.7±35.7 °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: 5.50
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 718.43
ACD/KOC (pH 5.5): 3856.54
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 718.44
ACD/KOC (pH 7.4): 3856.61
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

Click to predict properties on the Chemicalize site


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