ChemSpider 2D Image | Ethyl 4-{[3-(2-chlorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl]carbonyl}-1-piperazinecarboxylate | C26H30ClN5O5

Ethyl 4-{[3-(2-chlorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl]carbonyl}-1-piperazinecarboxylate

  • Molecular FormulaC26H30ClN5O5
  • Average mass528.000 Da
  • Monoisotopic mass527.193542 Da
  • ChemSpider ID22596643

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-(2-chlorophenyl)-2,3,4,4a,5,6-hexahydro-8-nitro-1H-pyrazino[1,2-a]quinolin-5-yl]carbonyl]-, ethyl ester [ACD/Index Name]
4-{[3-(2-Chlorophényl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoléin-5-yl]carbonyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[3-(2-chlorophenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl]carbonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[3-(2-chlorphenyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]chinolin-5-yl]carbonyl}-1-piperazincarboxylat [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: 738.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2280.87
ACD/KOC (pH 5.5): 8744.26
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2347.53
ACD/KOC (pH 7.4): 8999.82
Polar Surface Area: 102 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 369.4±5.0 cm3

Click to predict properties on the Chemicalize site


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