ChemSpider 2D Image | 2-Amino-1-{4-[(2S)-2-butanyl]phenyl}-N-(3-isopropoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | C27H33N5O2

2-Amino-1-{4-[(2S)-2-butanyl]phenyl}-N-(3-isopropoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

  • Molecular FormulaC27H33N5O2
  • Average mass459.583 Da
  • Monoisotopic mass459.263428 Da
  • ChemSpider ID62326067

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-N-[3-(1-methylethoxy)propyl]-1-[4-[(1S)-1-methylpropyl]phenyl]- [ACD/Index Name]
2-Amino-1-{4-[(2S)-2-butanyl]phenyl}-N-(3-isopropoxypropyl)-1H-pyrrolo[2,3-b]chinoxalin-3-carboxamid [German] [ACD/IUPAC Name]
2-Amino-1-{4-[(2S)-2-butanyl]phenyl}-N-(3-isopropoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [ACD/IUPAC Name]
2-Amino-1-{4-[(2S)-2-butanyl]phényl}-N-(3-isopropoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.8±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 133.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2332.55
ACD/KOC (pH 5.5): 8957.52
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2334.37
ACD/KOC (pH 7.4): 8964.50
Polar Surface Area: 95 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

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