ChemSpider 2D Image | Ethyl 4-{[3-(4-chlorobenzyl)-8-nitro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinolin-5-yl]carbonyl}-1-piperazinecarboxylate | C27H32ClN5O5

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

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID22597375

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-[(4-chlorophenyl)methyl]-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-(4-Chlorobenzyl)-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-(4-chlorobenzyl)-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-(4-chlorbenzyl)-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: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 874.04
ACD/KOC (pH 5.5): 3356.86
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2285.48
ACD/KOC (pH 7.4): 8777.69
Polar Surface Area: 102 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

Click to predict properties on the Chemicalize site


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