ChemSpider 2D Image | (5E)-5-{(2E)-3-[1,4-Bis(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2-propen-1-ylidene}-1,3-bis(4-methoxyphenyl)-2,4-imidazolidinedione | C36H31N5O7

(5E)-5-{(2E)-3-[1,4-Bis(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2-propen-1-ylidene}-1,3-bis(4-methoxyphenyl)-2,4-imidazolidinedione

  • Molecular FormulaC36H31N5O7
  • Average mass645.661 Da
  • Monoisotopic mass645.222351 Da
  • ChemSpider ID17247927

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-{(2E)-3-[1,4-Bis(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2-propen-1-yliden}-1,3-bis(4-methoxyphenyl)-2,4-imidazolidindion [German] [ACD/IUPAC Name]
(5E)-5-{(2E)-3-[1,4-Bis(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2-propen-1-ylidene}-1,3-bis(4-methoxyphenyl)-2,4-imidazolidinedione [ACD/IUPAC Name]
(5E)-5-{(2E)-3-[1,4-Bis(4-méthoxyphényl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2-propén-1-ylidène}-1,3-bis(4-méthoxyphényl)-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
2,4-Imidazolidinedione, 5-[(2E)-3-[4,5-dihydro-1,4-bis(4-methoxyphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2-propen-1-ylidene]-1,3-bis(4-methoxyphenyl)-, (5E)- [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: 776.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.5±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 179.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 325.09
ACD/KOC (pH 5.5): 2186.24
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 325.10
ACD/KOC (pH 7.4): 2186.26
Polar Surface Area: 113 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 501.8±7.0 cm3

Click to predict properties on the Chemicalize site


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