ChemSpider 2D Image | Ethyl 4-{4-[4-(diethylcarbamoyl)-1-piperazinyl]-3-nitrobenzoyl}-1-piperazinecarboxylate | C23H34N6O6

Ethyl 4-{4-[4-(diethylcarbamoyl)-1-piperazinyl]-3-nitrobenzoyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H34N6O6
  • Average mass490.553 Da
  • Monoisotopic mass490.253998 Da
  • ChemSpider ID66837044

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[4-[(diethylamino)carbonyl]-1-piperazinyl]-3-nitrobenzoyl]-, ethyl ester [ACD/Index Name]
4-{4-[4-(Diéthylcarbamoyl)-1-pipérazinyl]-3-nitrobenzoyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[4-(diethylcarbamoyl)-1-piperazinyl]-3-nitrobenzoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[4-(diethylcarbamoyl)-1-piperazinyl]-3-nitrobenzoyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.4±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.14
ACD/KOC (pH 5.5): 277.07
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.15
ACD/KOC (pH 7.4): 277.13
Polar Surface Area: 122 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 382.9±3.0 cm3

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