ChemSpider 2D Image | ethyl 4-(3-(4-(4-nicotinoylphenyl)piperazin-1-yl)-2,5-dioxo-2H-pyrrol-1(5H)-yl)benzoate | C29H26N4O5

ethyl 4-(3-(4-(4-nicotinoylphenyl)piperazin-1-yl)-2,5-dioxo-2H-pyrrol-1(5H)-yl)benzoate

  • Molecular FormulaC29H26N4O5
  • Average mass510.540 Da
  • Monoisotopic mass510.190308 Da
  • ChemSpider ID4464019

More details:

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

4-(2,5-Dioxo-3-{4-[4-(3-pyridinylcarbonyl)phényl]-1-pipérazinyl}-2,5-dihydro-1H-pyrrol-1-yl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2,5-dihydro-2,5-dioxo-3-[4-[4-(3-pyridinylcarbonyl)phenyl]-1-piperazinyl]-1H-pyrrol-1-yl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(2,5-dioxo-3-{4-[4-(3-pyridinylcarbonyl)phenyl]-1-piperazinyl}-2,5-dihydro-1H-pyrrol-1-yl)benzoate [ACD/IUPAC Name]
ethyl 4-(3-(4-(4-nicotinoylphenyl)piperazin-1-yl)-2,5-dioxo-2H-pyrrol-1(5H)-yl)benzoate
Ethyl-4-(2,5-dioxo-3-{4-[4-(3-pyridinylcarbonyl)phenyl]-1-piperazinyl}-2,5-dihydro-1H-pyrrol-1-yl)benzoat [German] [ACD/IUPAC Name]
4-(2,5-Dioxo-3-{4-[4-(pyridine-3-carbonyl)-phenyl]-piperazin-1-yl}-2,5-dihydro-pyrrol-1-yl)-benzoic acid ethyl ester
ethyl 4-(2,5-dioxo-3-{4-[4-(3-pyridylcarbonyl)phenyl]piperazinyl}azolinyl)benzoate
ethyl 4-(2,5-dioxo-3-{4-[4-(pyridin-3-ylcarbonyl)phenyl]piperazin-1-yl}-2,5-dihydro-1H-pyrrol-1-yl)benzoate

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

A4018/0171388 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.50
ACD/KOC (pH 5.5): 803.38
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 81.04
ACD/KOC (pH 7.4): 808.81
Polar Surface Area: 100 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 380.4±3.0 cm3

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