ChemSpider 2D Image | Ethyl 4-[5-(3,4-dimethoxyphenyl)-3-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate | C30H30N2O7

Ethyl 4-[5-(3,4-dimethoxyphenyl)-3-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate

  • Molecular FormulaC30H30N2O7
  • Average mass530.568 Da
  • Monoisotopic mass530.205322 Da
  • ChemSpider ID3796082

More details:

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

4-[5-(3,4-Diméthoxyphényl)-3-{[4-(éthoxycarbonyl)phényl]amino}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-(3,4-dimethoxyphenyl)-3-[[4-(ethoxycarbonyl)phenyl]amino]-2,5-dihydro-2-oxo-1H-pyrrol-1-yl]-, ethyl ester [ACD/Index Name]
Ethyl 4-[5-(3,4-dimethoxyphenyl)-3-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate [ACD/IUPAC Name]
Ethyl-4-[5-(3,4-dimethoxyphenyl)-3-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoat [German] [ACD/IUPAC Name]
ethyl 4-({5-(3,4-dimethoxyphenyl)-1-[4-(ethoxycarbonyl)phenyl]-2-oxo-3-pyrrolin-3-yl}amino)benzoate

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

A3183/0134833 [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: 680.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.2±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1965.70
ACD/KOC (pH 5.5): 7926.78
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1965.70
ACD/KOC (pH 7.4): 7926.78
Polar Surface Area: 103 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

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