ChemSpider 2D Image | 1-(2-{[4-(4-Methoxyphenyl)-1-piperazinyl]carbonyl}-1-benzofuran-3-yl)-3-[2-(trifluoromethyl)phenyl]urea | C28H25F3N4O4

1-(2-{[4-(4-Methoxyphenyl)-1-piperazinyl]carbonyl}-1-benzofuran-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID20326930

More details:

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

1-(2-{[4-(4-Methoxyphenyl)-1-piperazinyl]carbonyl}-1-benzofuran-3-yl)-3-[2-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-(2-{[4-(4-Methoxyphenyl)-1-piperazinyl]carbonyl}-1-benzofuran-3-yl)-3-[2-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-(2-{[4-(4-Méthoxyphényl)-1-pipérazinyl]carbonyl}-1-benzofuran-3-yl)-3-[2-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-[[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl]-3-benzofuranyl]-N'-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-{2-[4-(4-METHOXYPHENYL)PIPERAZINE-1-CARBONYL]-1-BENZOFURAN-3-YL}-1-[2-(TRIFLUOROMETHYL)PHENYL]UREA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2841.08
ACD/KOC (pH 5.5): 10195.23
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2961.30
ACD/KOC (pH 7.4): 10626.65
Polar Surface Area: 87 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

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