ChemSpider 2D Image | 5-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-2-(4-ethylphenyl)-7-methylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-one | C27H29ClN6O2

5-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-2-(4-ethylphenyl)-7-methylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-one

  • Molecular FormulaC27H29ClN6O2
  • Average mass505.011 Da
  • Monoisotopic mass504.204041 Da
  • ChemSpider ID20410848

More details:

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

5-{2-[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-2-(4-ethylphenyl)-7-methylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-on [German] [ACD/IUPAC Name]
5-{2-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl}-2-(4-ethylphenyl)-7-methylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-one [ACD/IUPAC Name]
5-{2-[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]-2-oxoéthyl}-2-(4-éthylphényl)-7-méthylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-one [French] [ACD/IUPAC Name]
Pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one, 5-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-2-(4-ethylphenyl)-7-methyl- [ACD/Index Name]
5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-(4-ethylphenyl)-7-methylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 728.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.4±35.7 °C
Index of Refraction: 1.674
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 424.11
ACD/KOC (pH 5.5): 2644.34
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 424.24
ACD/KOC (pH 7.4): 2645.15
Polar Surface Area: 74 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 378.0±7.0 cm3

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