ChemSpider 2D Image | Ethyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate | C25H33ClN2O4

Ethyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC25H33ClN2O4
  • Average mass460.993 Da
  • Monoisotopic mass460.212891 Da
  • ChemSpider ID22642710

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[2-[(4-chlorobenzoyl)(3-methylbutyl)amino]-1-oxopropyl]-1,3,5-trimethyl-, ethyl ester [ACD/Index Name]
4-[N-(4-Chlorobenzoyl)-N-(3-méthylbutyl)alanyl]-1,3,5-triméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[N-(4-chlorobenzoyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[N-(4-chlorbenzoyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-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: 612.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.4±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19582.07
ACD/KOC (pH 5.5): 41086.48
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19582.07
ACD/KOC (pH 7.4): 41086.48
Polar Surface Area: 69 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 400.8±7.0 cm3

Click to predict properties on the Chemicalize site


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