ChemSpider 2D Image | 1-{2-[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl]-2-oxoethyl}-3-(4-methylbenzyl)urea | C22H26ClFN4O2

1-{2-[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl]-2-oxoethyl}-3-(4-methylbenzyl)urea

  • Molecular FormulaC22H26ClFN4O2
  • Average mass432.919 Da
  • Monoisotopic mass432.172821 Da
  • ChemSpider ID21701817

More details:

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

1-{2-[4-(2-Chlor-6-fluorbenzyl)-1-piperazinyl]-2-oxoethyl}-3-(4-methylbenzyl)harnstoff [German] [ACD/IUPAC Name]
1-{2-[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl]-2-oxoethyl}-3-(4-methylbenzyl)urea [ACD/IUPAC Name]
1-{2-[4-(2-Chloro-6-fluorobenzyl)-1-pipérazinyl]-2-oxoéthyl}-3-(4-méthylbenzyl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-N'-[(4-methylphenyl)methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 67.78
ACD/KOC (pH 5.5): 692.18
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.64
ACD/KOC (pH 7.4): 762.33
Polar Surface Area: 65 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 339.0±3.0 cm3

Click to predict properties on the Chemicalize site


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