Found 1 result

Search term: PPBYGOIXJTYVGU-FDYZEBBJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3Z,6Z)-3-[3-(4-Fluorobenzoyl)benzylidene]-6-{[4-(2-methyl-2-propanyl)-1H-imidazol-5-yl]methylene}-2,5-piperazinedione | C26H23FN4O3

(3Z,6Z)-3-[3-(4-Fluorobenzoyl)benzylidene]-6-{[4-(2-methyl-2-propanyl)-1H-imidazol-5-yl]methylene}-2,5-piperazinedione

  • Molecular FormulaC26H23FN4O3
  • Average mass458.484 Da
  • Monoisotopic mass458.175415 Da
  • ChemSpider ID28505412

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z,6Z)-3-[[5-(1,1-Dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[[3-(4-fluorobenzoyl)phenyl]methylene]-2,5-piperazinedione
(3Z,6Z)-3-[3-(4-Fluorbenzoyl)benzyliden]-6-{[4-(2-methyl-2-propanyl)-1H-imidazol-5-yl]methylen}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3Z,6Z)-3-[3-(4-Fluorobenzoyl)benzylidene]-6-{[4-(2-methyl-2-propanyl)-1H-imidazol-5-yl]methylene}-2,5-piperazinedione [ACD/IUPAC Name]
(3Z,6Z)-3-[3-(4-Fluorobenzoyl)benzylidène]-6-{[4-(2-méthyl-2-propanyl)-1H-imidazol-5-yl]méthylène}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
1236141-96-0 [RN]
2,5-Piperazinedione, 3-[[5-(1,1-dimethylethyl)-1H-imidazol-4-yl]methylene]-6-[[3-(4-fluorobenzoyl)phenyl]methylene]-, (3Z,6Z)- [ACD/Index 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: 834.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 458.7±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 68.33
ACD/KOC (pH 5.5): 659.54
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.75
ACD/KOC (pH 7.4): 875.87
Polar Surface Area: 104 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 347.6±3.0 cm3

Click to predict properties on the Chemicalize site


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