ChemSpider 2D Image | Ethyl 4-{[(1-{[4-(3-chlorophenyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)acetyl]amino}benzoate | C27H32ClN5O5

Ethyl 4-{[(1-{[4-(3-chlorophenyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)acetyl]amino}benzoate

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID23478309

More details:

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

4-{[2-(1-{2-[4-(3-Chlorophényl)-1-pipérazinyl]acétyl}-3-oxo-2-pipérazinyl)acétyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[1-[2-[4-(3-chlorophenyl)-1-piperazinyl]acetyl]-3-oxo-2-piperazinyl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(1-{[4-(3-chlorophenyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)acetyl]amino}benzoate [ACD/IUPAC Name]
Ethyl 4-{[(1-{[4-(3-chlorophenyl)piperazin-1-yl]acetyl}-3-oxopiperazin-2-yl)acetyl]amino}benzoate
Ethyl-4-{[(1-{[4-(3-chlorphenyl)-1-piperazinyl]acetyl}-3-oxo-2-piperazinyl)acetyl]amino}benzoat [German] [ACD/IUPAC Name]
ETHYL 4-[2-(1-{2-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]ACETYL}-3-OXOPIPERAZIN-2-YL)ACETAMIDO]BENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 834.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 458.7±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 36.76
ACD/KOC (pH 5.5): 404.90
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.88
ACD/KOC (pH 7.4): 626.55
Polar Surface Area: 111 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 415.0±3.0 cm3

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