ChemSpider 2D Image | Ethyl 4-[3-({2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl}amino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | C24H33FN4O3

Ethyl 4-[3-({2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl}amino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC24H33FN4O3
  • Average mass444.542 Da
  • Monoisotopic mass444.253662 Da
  • ChemSpider ID28376242

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[3-[[2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl]amino]-3-oxopropyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-[3-({2-[4-(2-Fluorophényl)-1-pipérazinyl]éthyl}amino)-3-oxopropyl]-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[3-({2-[4-(2-fluorophenyl)-1-piperazinyl]ethyl}amino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[3-({2-[4-(2-fluorphenyl)-1-piperazinyl]ethyl}amino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-[3-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.1±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 34.05
ACD/KOC (pH 5.5): 217.88
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 341.97
ACD/KOC (pH 7.4): 2188.35
Polar Surface Area: 78 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 376.0±3.0 cm3

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