ChemSpider 2D Image | N-[(1Z)-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-[(1Z)-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 ID12273812

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-[(Z)-1-[[[3-(1H-imidazol-1-yl)propyl]amino]carbonyl]-2-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]ethenyl]-4-methoxy- [ACD/Index Name]
N-[(1Z)-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-[(1Z)-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-[(1Z)-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]
N-[(1Z)-3-{[3-(1H-Imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[3-(trifluoromethyl)phenyl]-2-furyl}prop-1-en-2-yl]-4-methoxybenzamide
(2Z)-N-(3-imidazolylpropyl)-2-[(4-methoxyphenyl)carbonylamino]-3-{5-[3-(trifluoromethyl)phenyl](2-furyl)}prop-2-enamide
(2Z)-N-[3-(1H-imidazol-1-yl)propyl]-2-[(4-methoxyphenyl)formamido]-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enamide
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-1-en-2-yl]-4-methoxybenzamide
N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-en-2-yl]-4-methoxybenzamide

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): 2.61
ACD/BCF (pH 5.5): 25.17
ACD/KOC (pH 5.5): 133.48
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 533.20
ACD/KOC (pH 7.4): 2827.33
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


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