ChemSpider 2D Image | 1-(4-Bromophenyl)-N-(1-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-1H-imidazole-4-carboxamide | C17H17BrN6O3

1-(4-Bromophenyl)-N-(1-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-1H-imidazole-4-carboxamide

  • Molecular FormulaC17H17BrN6O3
  • Average mass433.259 Da
  • Monoisotopic mass432.054535 Da
  • ChemSpider ID30418431

More details:

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

1-(4-Bromophenyl)-N-(1-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
1-(4-Bromophényl)-N-(1-{2-[(2-hydroxyéthyl)amino]-2-oxoéthyl}-1H-pyrazol-4-yl)-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(4-Bromphenyl)-N-(1-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-1-acetamide, 4-[[[1-(4-bromophenyl)-1H-imidazol-4-yl]carbonyl]amino]-N-(2-hydroxyethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 647.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.708
Molar Refractivity: 103.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.72
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.25
Polar Surface Area: 114 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 265.5±7.0 cm3

Click to predict properties on the Chemicalize site


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