ChemSpider 2D Image | Methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)-2-furyl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C34H35N3O10

Methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)-2-furyl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC34H35N3O10
  • Average mass645.656 Da
  • Monoisotopic mass645.232239 Da
  • ChemSpider ID79692786

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-1-[2-(3,4-Diméthoxyphényl)éthyl]-4-[(5-{[(2-{[4-(éthoxycarbonyl)phényl]amino}-2-oxoacétyl)amino]méthyl}-2-furyl)méthylène]-2-méthyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[5-[[[2-[[4-(ethoxycarbonyl)phenyl]amino]-1,2-dioxoethyl]amino]methyl]-2-furanyl]methylene]-4,5-dihydro-2-methyl-5-oxo-, methyl ester, (4Z)- [ACD/Index Name]
Methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)-2-furyl]methylene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-(4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)-2-furyl]methylen}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [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: 1.614
Molar Refractivity: 170.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 169.41
ACD/KOC (pH 5.5): 1371.13
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.30
ACD/KOC (pH 7.4): 1370.22
Polar Surface Area: 163 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 490.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement