ChemSpider 2D Image | 2-Amino-1-(4-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | C26H22BrN5O2

2-Amino-1-(4-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

  • Molecular FormulaC26H22BrN5O2
  • Average mass516.389 Da
  • Monoisotopic mass515.095703 Da
  • ChemSpider ID1748683

More details:

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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-1-(4-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]- [ACD/Index Name]
2-Amino-1-(4-bromophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [ACD/IUPAC Name]
2-Amino-1-(4-bromophényl)-N-[2-(4-méthoxyphényl)éthyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [French] [ACD/IUPAC Name]
2-Amino-1-(4-bromphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]chinoxalin-3-carboxamid [German] [ACD/IUPAC 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: 680.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.3±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2622.52
ACD/KOC (pH 5.5): 9742.09
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2623.74
ACD/KOC (pH 7.4): 9746.61
Polar Surface Area: 95 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 345.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement