ChemSpider 2D Image | Ethyl 1-benzyl-3-[(3,5-dimethoxybenzoyl)amino]-4-(3-fluorophenyl)-1H-pyrrole-2-carboxylate | C29H27FN2O5

Ethyl 1-benzyl-3-[(3,5-dimethoxybenzoyl)amino]-4-(3-fluorophenyl)-1H-pyrrole-2-carboxylate

  • Molecular FormulaC29H27FN2O5
  • Average mass502.534 Da
  • Monoisotopic mass502.190399 Da
  • ChemSpider ID22738771

More details:

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

1-Benzyl-3-[(3,5-diméthoxybenzoyl)amino]-4-(3-fluorophényl)-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 3-[(3,5-dimethoxybenzoyl)amino]-4-(3-fluorophenyl)-1-(phenylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-benzyl-3-[(3,5-dimethoxybenzoyl)amino]-4-(3-fluorophenyl)-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-1-benzyl-3-[(3,5-dimethoxybenzoyl)amino]-4-(3-fluorphenyl)-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: 625.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.0±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36155.96
ACD/KOC (pH 5.5): 63727.80
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36155.84
ACD/KOC (pH 7.4): 63727.59
Polar Surface Area: 79 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 414.6±7.0 cm3

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