ChemSpider 2D Image | Ethyl 2-[(3,5-dinitrobenzoyl)amino]-1-(3-octanyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate | C28H30N6O7

Ethyl 2-[(3,5-dinitrobenzoyl)amino]-1-(3-octanyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

  • Molecular FormulaC28H30N6O7
  • Average mass562.574 Da
  • Monoisotopic mass562.217590 Da
  • ChemSpider ID2867264

More details:

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

1H-Pyrrolo[2,3-b]quinoxaline-3-carboxylic acid, 2-[(3,5-dinitrobenzoyl)amino]-1-(1-ethylhexyl)-, ethyl ester [ACD/Index Name]
2-[(3,5-Dinitrobenzoyl)amino]-1-(3-octanyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-[(3,5-dinitrobenzoyl)amino]-1-(3-octanyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[(3,5-dinitrobenzoyl)amino]-1-(3-octanyl)-1H-pyrrolo[2,3-b]chinoxalin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.1±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 9.17
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 425766.38
ACD/KOC (pH 5.5): 372320.25
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 421588.19
ACD/KOC (pH 7.4): 368666.53
Polar Surface Area: 178 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 402.5±7.0 cm3

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