ChemSpider 2D Image | Ethyl 4-{4-[4-(1-methylprolyl)-1-piperazinyl]-3-nitrobenzoyl}-1-piperazinecarboxylate | C24H34N6O6

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

  • Molecular FormulaC24H34N6O6
  • Average mass502.563 Da
  • Monoisotopic mass502.253998 Da
  • ChemSpider ID66971613

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[4-[(1-methyl-2-pyrrolidinyl)carbonyl]-1-piperazinyl]-3-nitrobenzoyl]-, ethyl ester [ACD/Index Name]
4-{4-[4-(1-Méthylprolyl)-1-pipérazinyl]-3-nitrobenzoyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[4-(1-methylprolyl)-1-piperazinyl]-3-nitrobenzoyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[4-(1-methylprolyl)-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: 720.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.3±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 130.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 122 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 382.0±3.0 cm3

Click to predict properties on the Chemicalize site


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