ChemSpider 2D Image | Ethyl (4E)-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)-2-furyl]methylene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate | C28H31N3O9

Ethyl (4E)-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)-2-furyl]methylene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC28H31N3O9
  • Average mass553.560 Da
  • Monoisotopic mass553.206055 Da
  • ChemSpider ID7779840

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[(5-{[(2-{[4-(Éthoxycarbonyl)phényl]amino}-2-oxoacétyl)amino]méthyl}-2-furyl)méthylène]-1-(2-méthoxyéthyl)-2-méthyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 4-[[5-[[[2-[[4-(ethoxycarbonyl)phenyl]amino]-1,2-dioxoethyl]amino]methyl]-2-furanyl]methylene]-4,5-dihydro-1-(2-methoxyethyl)-2-methyl-5-oxo-, ethyl ester, (4E)- [ACD/Index Name]
Ethyl (4E)-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)-2-furyl]methylene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-(4E)-4-{[5-({[{[4-(ethoxycarbonyl)phenyl]amino}(oxo)acetyl]amino}methyl)-2-furyl]methylen}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
444302-74-3 [RN]
ethyl 4-{[5-({[[4-(ethoxycarbonyl)anilino](oxo)acetyl]amino}methyl)-2-furyl]methylene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
WSRKHGCYKYRYJY-PXLXIMEGSA-N

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

AH-487/40716385 [DBID]
ZINC08383796 [DBID]

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: 1.600
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.04
ACD/KOC (pH 5.5): 461.86
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.02
ACD/KOC (pH 7.4): 461.55
Polar Surface Area: 153 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 421.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement