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

Ethyl 1-ethyl-4-[N-(4-fluorobenzyl)-N-isobutyrylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC25H33FN2O4
  • Average mass444.539 Da
  • Monoisotopic mass444.242432 Da
  • ChemSpider ID22640931

More details:

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

1-Éthyl-4-[N-(4-fluorobenzyl)-N-isobutyrylalanyl]-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 1-ethyl-4-[2-[[(4-fluorophenyl)methyl](2-methyl-1-oxopropyl)amino]-1-oxopropyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
Ethyl 1-ethyl-4-[N-(4-fluorobenzyl)-N-isobutyrylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-1-ethyl-4-[N-(4-fluorbenzyl)-N-isobutyrylalanyl]-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: 590.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.2±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7532.32
ACD/KOC (pH 5.5): 20734.65
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7532.33
ACD/KOC (pH 7.4): 20734.65
Polar Surface Area: 69 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 35.4±7.0 dyne/cm
Molar Volume: 394.4±7.0 cm3

Click to predict properties on the Chemicalize site


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