ChemSpider 2D Image | Ethyl 1-ethyl-4-[N-(4-fluorobenzoyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | C25H33FN2O4

Ethyl 1-ethyl-4-[N-(4-fluorobenzoyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC25H33FN2O4
  • Average mass444.539 Da
  • Monoisotopic mass444.242432 Da
  • ChemSpider ID22640360

More details:

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

1-Éthyl-4-[N-(4-fluorobenzoyl)-N-(3-méthylbutyl)glycyl]-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 1-ethyl-4-[2-[(4-fluorobenzoyl)(3-methylbutyl)amino]acetyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
Ethyl 1-ethyl-4-[N-(4-fluorobenzoyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-1-ethyl-4-[N-(4-fluorbenzoyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 123.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7981.84
ACD/KOC (pH 5.5): 21613.04
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 7981.84
ACD/KOC (pH 7.4): 21613.04
Polar Surface Area: 69 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 36.2±7.0 dyne/cm
Molar Volume: 395.3±7.0 cm3

Click to predict properties on the Chemicalize site


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