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

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

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID4696352

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-[(E)-1-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]-2-[5-[2-(trifluoromethoxy)phenyl]-2-furanyl]ethenyl]-4-methyl- [ACD/Index Name]
N-[(1E)-3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[2-(trifluormethoxy)phenyl]-2-furyl}-1-propen-2-yl]-4-methylbenzamid [German] [ACD/IUPAC Name]
N-[(1E)-3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[2-(trifluoromethoxy)phenyl]-2-furyl}-1-propen-2-yl]-4-methylbenzamide [ACD/IUPAC Name]
N-[(1E)-3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[2-(trifluorométhoxy)phényl]-2-furyl}-1-propén-2-yl]-4-méthylbenzamide [French] [ACD/IUPAC Name]

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

ASN 07007819 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 416.8±32.9 °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: 4.38
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 26.74
ACD/KOC (pH 5.5): 139.37
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 564.26
ACD/KOC (pH 7.4): 2940.60
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

Click to predict properties on the Chemicalize site


Advertisement