ChemSpider 2D Image | 1-(4-Chlorophenyl)-4-{3-[(6-ethyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl}-1,4-butanedione | C20H21ClFN3O3

1-(4-Chlorophenyl)-4-{3-[(6-ethyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl}-1,4-butanedione

  • Molecular FormulaC20H21ClFN3O3
  • Average mass405.850 Da
  • Monoisotopic mass405.125549 Da
  • ChemSpider ID39181450

More details:

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

1-(4-Chlorophenyl)-4-{3-[(6-ethyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl}-1,4-butanedione [ACD/IUPAC Name]
1-(4-Chlorophényl)-4-{3-[(6-éthyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl}-1,4-butanedione [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-4-{3-[(6-ethyl-5-fluor-4-pyrimidinyl)oxy]-1-pyrrolidinyl}-1,4-butandion [German] [ACD/IUPAC Name]
1,4-Butanedione, 1-(4-chlorophenyl)-4-[3-[(6-ethyl-5-fluoro-4-pyrimidinyl)oxy]-1-pyrrolidinyl]- [ACD/Index Name]
1-(4-chlorophenyl)-4-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)butane-1,4-dione
1-(4-chlorophenyl)-4-{3-[(6-ethyl-5-fluoropyrimidin-4-yl)oxy]pyrrolidin-1-yl}butane-1,4-dione
2034319-02-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.8±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.75
ACD/KOC (pH 5.5): 869.97
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.81
ACD/KOC (pH 7.4): 870.55
Polar Surface Area: 72 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 308.4±3.0 cm3

Click to predict properties on the Chemicalize site


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