ChemSpider 2D Image | 3-[1-(3,4-Dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrobenzyl)oxy]-4H-pyrido[1,2-a]pyrimidin-4-one | C26H19Cl2N5O4

3-[1-(3,4-Dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrobenzyl)oxy]-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC26H19Cl2N5O4
  • Average mass536.366 Da
  • Monoisotopic mass535.081421 Da
  • ChemSpider ID22598750

More details:

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

3-[1-(3,4-Dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrobenzyl)oxy]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-[1-(3,4-Dichlorophényl)-5-méthyl-1H-pyrazol-3-yl]-2-méthyl-9-[(4-nitrobenzyl)oxy]-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-[1-(3,4-Dichlorphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrobenzyl)oxy]-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-9-[(4-nitrophenyl)methoxy]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 745.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.4±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6258.02
ACD/KOC (pH 5.5): 18158.44
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6258.15
ACD/KOC (pH 7.4): 18158.84
Polar Surface Area: 106 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 365.0±7.0 cm3

Click to predict properties on the Chemicalize site


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