ChemSpider 2D Image | Ethyl 4-[N-(cyclohexylmethyl)-N-(3-methoxybenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate | C28H38N2O5

Ethyl 4-[N-(cyclohexylmethyl)-N-(3-methoxybenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC28H38N2O5
  • Average mass482.612 Da
  • Monoisotopic mass482.278076 Da
  • ChemSpider ID22640742

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[2-[(cyclohexylmethyl)(3-methoxybenzoyl)amino]acetyl]-1-ethyl-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-[N-(Cyclohexylméthyl)-N-(3-méthoxybenzoyl)glycyl]-1-éthyl-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[N-(cyclohexylmethyl)-N-(3-methoxybenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[N-(cyclohexylmethyl)-N-(3-methoxybenzoyl)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: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.0±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 136.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17302.97
ACD/KOC (pH 5.5): 37603.95
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17302.97
ACD/KOC (pH 7.4): 37603.95
Polar Surface Area: 78 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 419.4±7.0 cm3

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