Found 411 results

Search term: MF = 'C_{21}H_{18}BrN_{5}O_{2}'
ChemSpider 2D Image | 2-[2-(4-Bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]-N-ethyl-N-phenylacetamide | C21H18BrN5O2

2-[2-(4-Bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]-N-ethyl-N-phenylacetamide

  • Molecular FormulaC21H18BrN5O2
  • Average mass452.304 Da
  • Monoisotopic mass451.064392 Da
  • ChemSpider ID27305116

More details:

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

2-[2-(4-Bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]-N-ethyl-N-phenylacetamide [ACD/IUPAC Name]
2-[2-(4-Bromophényl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]-N-éthyl-N-phénylacétamide [French] [ACD/IUPAC Name]
2-[2-(4-Bromphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]-N-ethyl-N-phenylacetamid [German] [ACD/IUPAC Name]
Pyrazolo[1,5-d][1,2,4]triazine-5(4H)-acetamide, 2-(4-bromophenyl)-N-ethyl-4-oxo-N-phenyl- [ACD/Index Name]
1326825-69-7 [RN]
2-[2-(4-bromophenyl)-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-ethyl-N-phenylacetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.5±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 123.39
ACD/KOC (pH 5.5): 1092.79
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 123.39
ACD/KOC (pH 7.4): 1092.80
Polar Surface Area: 71 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 304.5±7.0 cm3

Click to predict properties on the Chemicalize site


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