ChemSpider 2D Image | Ethyl (5E)-2-[(3,4-dimethoxyphenyl)amino]-4-oxo-5-(2,3,4-trimethoxybenzylidene)-4,5-dihydro-3-thiophenecarboxylate | C25H27NO8S

Ethyl (5E)-2-[(3,4-dimethoxyphenyl)amino]-4-oxo-5-(2,3,4-trimethoxybenzylidene)-4,5-dihydro-3-thiophenecarboxylate

  • Molecular FormulaC25H27NO8S
  • Average mass501.549 Da
  • Monoisotopic mass501.145752 Da
  • ChemSpider ID22838347

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-2-[(3,4-Diméthoxyphényl)amino]-4-oxo-5-(2,3,4-triméthoxybenzylidène)-4,5-dihydro-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[(3,4-dimethoxyphenyl)amino]-4,5-dihydro-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylene]-, ethyl ester, (5E)- [ACD/Index Name]
Ethyl (5E)-2-[(3,4-dimethoxyphenyl)amino]-4-oxo-5-(2,3,4-trimethoxybenzylidene)-4,5-dihydro-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-(5E)-2-[(3,4-dimethoxyphenyl)amino]-4-oxo-5-(2,3,4-trimethoxybenzyliden)-4,5-dihydro-3-thiophencarboxylat [German] [ACD/IUPAC 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: 648.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 346.0±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.41
ACD/KOC (pH 5.5): 1342.04
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.41
ACD/KOC (pH 7.4): 1342.04
Polar Surface Area: 127 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 380.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement