ChemSpider 2D Image | 2-[1-(2-Methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-methoxy-4-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}benzoate | C28H32N2O8

2-[1-(2-Methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-methoxy-4-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}benzoate

  • Molecular FormulaC28H32N2O8
  • Average mass524.562 Da
  • Monoisotopic mass524.215881 Da
  • ChemSpider ID3150792

More details:

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

2-[1-(2-Methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 3-methoxy-4-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}benzoate [ACD/IUPAC Name]
2-[1-(2-Methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl-3-methoxy-4-{2-[(4-methoxyphenyl)amino]-2-oxoethoxy}benzoat [German] [ACD/IUPAC Name]
3-Méthoxy-4-{2-[(4-méthoxyphényl)amino]-2-oxoéthoxy}benzoate de 2-[1-(2-méthoxyéthyl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-4-[2-[(4-methoxyphenyl)amino]-2-oxoethoxy]-, 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 754.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.3±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 139.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 721.43
ACD/KOC (pH 5.5): 3868.05
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 721.46
ACD/KOC (pH 7.4): 3868.22
Polar Surface Area: 114 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 432.6±7.0 cm3

Click to predict properties on the Chemicalize site


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