ChemSpider 2D Image | 9-(4-Butoxyphenyl)-2-(2,4-difluorobenzyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one | C24H21F2N5O2

9-(4-Butoxyphenyl)-2-(2,4-difluorobenzyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one

  • Molecular FormulaC24H21F2N5O2
  • Average mass449.453 Da
  • Monoisotopic mass449.166321 Da
  • ChemSpider ID27308341

More details:

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

9-(4-Butoxyphenyl)-2-(2,4-difluorbenzyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-on [German] [ACD/IUPAC Name]
9-(4-Butoxyphenyl)-2-(2,4-difluorobenzyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one [ACD/IUPAC Name]
9-(4-Butoxyphényl)-2-(2,4-difluorobenzyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3(2H)-one [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]-1,2,4-triazolo[3,4-c]pyrazin-3(2H)-one, 9-(4-butoxyphenyl)-2-[(2,4-difluorophenyl)methyl]- [ACD/Index Name]
7-(4-Butoxy-phenyl)-2-(2,4-difluoro-benzyl)-2H-1,2,3a,5a,6-pentaaza-as-indacen-3-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 269.0±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 497.46
ACD/KOC (pH 5.5): 2964.44
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 497.46
ACD/KOC (pH 7.4): 2964.44
Polar Surface Area: 63 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 326.5±7.0 cm3

Click to predict properties on the Chemicalize site


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