ChemSpider 2D Image | 4-Methyl 2-[2-oxo-2-({2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}amino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate | C19H18F3N3O6

4-Methyl 2-[2-oxo-2-({2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}amino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC19H18F3N3O6
  • Average mass441.358 Da
  • Monoisotopic mass441.114777 Da
  • ChemSpider ID22549927

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-methyl 2-[2-oxo-2-[[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]amino]ethyl] ester [ACD/Index Name]
3,5-Diméthyl-1H-pyrrole-2,4-dicarboxylate de 4-méthyle et de 2-[2-oxo-2-({2-oxo-2-[(2,3,4-trifluorophényl)amino]éthyl}amino)éthyle] [French] [ACD/IUPAC Name]
4-Methyl 2-[2-oxo-2-({2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl}amino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
4-Methyl-2-[2-oxo-2-({2-oxo-2-[(2,3,4-trifluorphenyl)amino]ethyl}amino)ethyl]-3,5-dimethyl-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.0±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.59
ACD/KOC (pH 5.5): 633.39
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.54
ACD/KOC (pH 7.4): 632.82
Polar Surface Area: 127 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 305.1±3.0 cm3

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