ChemSpider 2D Image | Ethyl 5-{[(4-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}benzoyl)oxy]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate | C27H28N2O8

Ethyl 5-{[(4-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}benzoyl)oxy]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC27H28N2O8
  • Average mass508.520 Da
  • Monoisotopic mass508.184570 Da
  • ChemSpider ID3601775

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[2-[[4-[2-[(3-methoxyphenyl)amino]-2-oxoethoxy]benzoyl]oxy]acetyl]-2,4-dimethyl-, ethyl ester [ACD/Index Name]
5-{2-[(4-{2-[(3-Méthoxyphényl)amino]-2-oxoéthoxy}benzoyl)oxy]acétyl}-2,4-diméthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{[(4-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}benzoyl)oxy]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-{[(4-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}benzoyl)oxy]acetyl}-2,4-dimethyl-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: 780.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.6±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2439.07
ACD/KOC (pH 5.5): 9250.63
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2439.07
ACD/KOC (pH 7.4): 9250.61
Polar Surface Area: 133 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 394.0±3.0 cm3

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