ChemSpider 2D Image | (2E)-4-[(3E,5E)-3,5-Bis(4-nitrobenzylidene)-4-oxo-1-piperidinyl]-N-(4-methoxyphenyl)-4-oxo-2-butenamide | C30H24N4O8

(2E)-4-[(3E,5E)-3,5-Bis(4-nitrobenzylidene)-4-oxo-1-piperidinyl]-N-(4-methoxyphenyl)-4-oxo-2-butenamide

  • Molecular FormulaC30H24N4O8
  • Average mass568.534 Da
  • Monoisotopic mass568.159424 Da
  • ChemSpider ID23299939

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-[(3E,5E)-3,5-Bis(4-nitrobenzyliden)-4-oxo-1-piperidinyl]-N-(4-methoxyphenyl)-4-oxo-2-butenamid [German] [ACD/IUPAC Name]
(2E)-4-[(3E,5E)-3,5-Bis(4-nitrobenzylidene)-4-oxo-1-piperidinyl]-N-(4-methoxyphenyl)-4-oxo-2-butenamide [ACD/IUPAC Name]
(2E)-4-[(3E,5E)-3,5-Bis(4-nitrobenzylidène)-4-oxo-1-pipéridinyl]-N-(4-méthoxyphényl)-4-oxo-2-buténamide [French] [ACD/IUPAC Name]
(2E)-4-[(3E,5E)-3,5-bis(4-nitrobenzylidene)-4-oxopiperidin-1-yl]-N-(4-methoxyphenyl)-4-oxobut-2-enamide
2-Butenamide, 4-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylene]-4-oxo-1-piperidinyl]-N-(4-methoxyphenyl)-4-oxo-, (2E)- [ACD/Index Name]
E,E,E-1-(4-(4-methoxyphenyl)amino-4-oxo-2-butenoyl)-3,5-bis(4-nitrophenyl-idene)-4-piperidone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL391742/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 842.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 463.2±34.3 °C
Index of Refraction: 1.715
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 582.54
ACD/KOC (pH 5.5): 3319.09
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 582.54
ACD/KOC (pH 7.4): 3319.07
Polar Surface Area: 167 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 396.1±3.0 cm3

Click to predict properties on the Chemicalize site


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