ChemSpider 2D Image | N-(3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1-propen-2-yl)-4-methoxybenzamide | C28H25F3N4O4

N-(3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1-propen-2-yl)-4-methoxybenzamide

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID2751846

More details:

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

Benzamide, N-[1-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]-2-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]ethenyl]-4-methoxy- [ACD/Index Name]
N-(3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[3-(trifluormethyl)phenyl]-2-furyl}-1-propen-2-yl)-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-(3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[3-(trifluoromethyl)phenyl]-2-furyl}-1-propen-2-yl)-4-methoxybenzamide [ACD/IUPAC Name]
N-(3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[3-(trifluorométhyl)phényl]-2-furyl}-1-propén-2-yl)-4-méthoxybenzamide [French] [ACD/IUPAC 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: 821.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 450.4±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 26.91
ACD/KOC (pH 5.5): 142.71
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 547.64
ACD/KOC (pH 7.4): 2903.90
Polar Surface Area: 98 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 414.2±7.0 cm3

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