ChemSpider 2D Image | Ethyl 6,7-dichloro-3-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-quinoxalinecarboxylate | C23H21Cl2FN4O3

Ethyl 6,7-dichloro-3-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-quinoxalinecarboxylate

  • Molecular FormulaC23H21Cl2FN4O3
  • Average mass491.342 Da
  • Monoisotopic mass490.097473 Da
  • ChemSpider ID22748739

More details:

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

2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-[4-(4-fluorobenzoyl)hexahydro-1H-1,4-diazepin-1-yl]-, ethyl ester [ACD/Index Name]
6,7-Dichloro-3-[4-(4-fluorobenzoyl)-1,4-diazépan-1-yl]-2-quinoxalinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6,7-dichloro-3-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-quinoxalinecarboxylate [ACD/IUPAC Name]
Ethyl-6,7-dichlor-3-[4-(4-fluorbenzoyl)-1,4-diazepan-1-yl]-2-chinoxalincarboxylat [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: 656.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 124.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2276.43
ACD/KOC (pH 5.5): 8804.78
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2276.43
ACD/KOC (pH 7.4): 8804.79
Polar Surface Area: 76 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 350.6±3.0 cm3

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