ChemSpider 2D Image | Ethyl N-[2-(4-ethoxyphenyl)-6-{4-[3-(3-fluorophenyl)propyl]-1-piperazinyl}-4-pyrimidinyl]-N-propyl-beta-alaninate | C33H44FN5O3

Ethyl N-[2-(4-ethoxyphenyl)-6-{4-[3-(3-fluorophenyl)propyl]-1-piperazinyl}-4-pyrimidinyl]-N-propyl-β-alaninate

  • Molecular FormulaC33H44FN5O3
  • Average mass577.733 Da
  • Monoisotopic mass577.342834 Da
  • ChemSpider ID121955321

More details:

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

Ethyl N-[2-(4-ethoxyphenyl)-6-{4-[3-(3-fluorophenyl)propyl]-1-piperazinyl}-4-pyrimidinyl]-N-propyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[2-(4-ethoxyphenyl)-6-{4-[3-(3-fluorphenyl)propyl]-1-piperazinyl}-4-pyrimidinyl]-N-propyl-β-alaninat [German] [ACD/IUPAC Name]
N-[2-(4-Éthoxyphényl)-6-{4-[3-(3-fluorophényl)propyl]-1-pipérazinyl}-4-pyrimidinyl]-N-propyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-(4-ethoxyphenyl)-6-[4-[3-(3-fluorophenyl)propyl]-1-piperazinyl]-4-pyrimidinyl]-N-propyl-, ethyl ester [ACD/Index 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: 645.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 343.9±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 14.09
ACD/KOC (pH 5.5): 30.93
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 5711.72
ACD/KOC (pH 7.4): 12537.15
Polar Surface Area: 71 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 504.5±3.0 cm3

Click to predict properties on the Chemicalize site


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