ChemSpider 2D Image | 1-[(1E)-6-Oxo-3-(trifluoromethyl)-2,4-cyclohexadien-1-ylidene]-3-(3-{8-[(4-pyridinylmethyl)amino]-1,7-dihydroimidazo[1,2-a]pyrazin-6-yl}phenyl)urea | C26H20F3N7O2

1-[(1E)-6-Oxo-3-(trifluoromethyl)-2,4-cyclohexadien-1-ylidene]-3-(3-{8-[(4-pyridinylmethyl)amino]-1,7-dihydroimidazo[1,2-a]pyrazin-6-yl}phenyl)urea

  • Molecular FormulaC26H20F3N7O2
  • Average mass519.478 Da
  • Monoisotopic mass519.163086 Da
  • ChemSpider ID9852747

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(1E)-6-Oxo-3-(trifluormethyl)-2,4-cyclohexadien-1-yliden]-3-(3-{8-[(4-pyridinylmethyl)amino]-1,7-dihydroimidazo[1,2-a]pyrazin-6-yl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-[(1E)-6-Oxo-3-(trifluoromethyl)-2,4-cyclohexadien-1-ylidene]-3-(3-{8-[(4-pyridinylmethyl)amino]-1,7-dihydroimidazo[1,2-a]pyrazin-6-yl}phenyl)urea [ACD/IUPAC Name]
1-[(1E)-6-Oxo-3-(trifluorométhyl)-2,4-cyclohexadién-1-ylidène]-3-(3-{8-[(4-pyridinylméthyl)amino]-1,7-dihydroimidazo[1,2-a]pyrazin-6-yl}phényl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-[1,7-dihydro-8-[(4-pyridinylmethyl)amino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-N'-[(1E)-6-oxo-3-(trifluoromethyl)-2,4-cyclohexadien-1-ylidene]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 133.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.44
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.34
Polar Surface Area: 111 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 355.6±7.0 cm3

Click to predict properties on the Chemicalize site


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