ChemSpider 2D Image | Ethyl 4-[N-(3-ethoxypropyl)-N-(4-methyl-3-nitrobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate | C26H35N3O7

Ethyl 4-[N-(3-ethoxypropyl)-N-(4-methyl-3-nitrobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC26H35N3O7
  • Average mass501.572 Da
  • Monoisotopic mass501.247498 Da
  • ChemSpider ID22607946

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[2-[(3-ethoxypropyl)(4-methyl-3-nitrobenzoyl)amino]acetyl]-1-ethyl-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-[N-(3-Éthoxypropyl)-N-(4-méthyl-3-nitrobenzoyl)glycyl]-1-éthyl-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[N-(3-ethoxypropyl)-N-(4-methyl-3-nitrobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[N-(3-ethoxypropyl)-N-(4-methyl-3-nitrobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC 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: 673.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2282.71
ACD/KOC (pH 5.5): 8822.17
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2282.71
ACD/KOC (pH 7.4): 8822.17
Polar Surface Area: 124 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 420.1±7.0 cm3

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