ChemSpider 2D Image | Methyl 7,7'-dimethoxy-5'-{(1E)-3-[(4-methoxyphenyl)amino]-3-oxo-1-propen-1-yl}-4,4'-bi-1,3-benzodioxole-5-carboxylate | C28H25NO10

Methyl 7,7'-dimethoxy-5'-{(1E)-3-[(4-methoxyphenyl)amino]-3-oxo-1-propen-1-yl}-4,4'-bi-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC28H25NO10
  • Average mass535.499 Da
  • Monoisotopic mass535.147827 Da
  • ChemSpider ID128719141

  • Double-bond stereo - Double-bond stereo

More details:

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

[4,4'-Bi-1,3-benzodioxole]-5-carboxylic acid, 7,7'-dimethoxy-5'-[(1E)-3-[(4-methoxyphenyl)amino]-3-oxo-1-propen-1-yl]-, methyl ester [ACD/Index Name]
7,7'-Diméthoxy-5'-{(1E)-3-[(4-méthoxyphényl)amino]-3-oxo-1-propén-1-yl}-4,4'-bi-1,3-benzodioxole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 7,7'-dimethoxy-5'-{(1E)-3-[(4-methoxyphenyl)amino]-3-oxo-1-propen-1-yl}-4,4'-bi-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
Methyl-7,7'-dimethoxy-5'-{(1E)-3-[(4-methoxyphenyl)amino]-3-oxo-1-propen-1-yl}-4,4'-bi-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4516030/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 774.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.3±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 140.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.48
ACD/KOC (pH 5.5): 2592.41
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 412.49
ACD/KOC (pH 7.4): 2592.49
Polar Surface Area: 120 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 388.9±3.0 cm3

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