ChemSpider 2D Image | Ethyl 4-({[({5-[(Z)-{[{[2-(3,4-dimethoxyphenyl)ethyl]amino}(oxo)acetyl]hydrazono}methyl]-2-furyl}methyl)amino](oxo)acetyl}amino)benzoate | C29H31N5O9

Ethyl 4-({[({5-[(Z)-{[{[2-(3,4-dimethoxyphenyl)ethyl]amino}(oxo)acetyl]hydrazono}methyl]-2-furyl}methyl)amino](oxo)acetyl}amino)benzoate

  • Molecular FormulaC29H31N5O9
  • Average mass593.584 Da
  • Monoisotopic mass593.212158 Da
  • ChemSpider ID81265193
  • Double-bond stereo - Double-bond stereo


More details:






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

4-[(2-{[(5-{(Z)-[(2-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-2-oxoacétyl)hydrazono]méthyl}-2-furyl)méthyl]amino}-2-oxoacétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[[5-[(Z)-[2-[2-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-1,2-dioxoethyl]hydrazinylidene]methyl]-2-furanyl]methyl]amino]-1,2-dioxoethyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[({5-[(Z)-{[{[2-(3,4-dimethoxyphenyl)ethyl]amino}(oxo)acetyl]hydrazono}methyl]-2-furyl}methyl)amino](oxo)acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[({5-[(Z)-{[{[2-(3,4-dimethoxyphenyl)ethyl]amino}(oxo)acetyl]hydrazono}methyl]-2-furyl}methyl)amino](oxo)acetyl}amino)benzoat [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 153.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.23
ACD/KOC (pH 5.5): 232.67
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.20
ACD/KOC (pH 7.4): 232.18
Polar Surface Area: 187 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 446.2±7.0 cm3

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