ChemSpider 2D Image | 2-Ethoxy-3-(4-{2-[5-(4-fluorophenyl)-2-isopropyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethoxy}phenyl)propanoic acid | C33H35FN2O5

2-Ethoxy-3-(4-{2-[5-(4-fluorophenyl)-2-isopropyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethoxy}phenyl)propanoic acid

  • Molecular FormulaC33H35FN2O5
  • Average mass558.640 Da
  • Monoisotopic mass558.252991 Da
  • ChemSpider ID8341917

More details:






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

2-Ethoxy-3-(4-{2-[5-(4-fluorophenyl)-2-isopropyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethoxy}phenyl)propanoic acid [ACD/IUPAC Name]
2-Ethoxy-3-(4-{2-[5-(4-fluorphenyl)-2-isopropyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethoxy}phenyl)propansäure [German] [ACD/IUPAC Name]
Acide 2-éthoxy-3-(4-{2-[5-(4-fluorophényl)-2-isopropyl-3-(phénylcarbamoyl)-1H-pyrrol-1-yl]éthoxy}phényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethoxy-4-[2-[5-(4-fluorophenyl)-2-(1-methylethyl)-3-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethoxy]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 681.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.1±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 156.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 271.13
ACD/KOC (pH 5.5): 553.57
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 7.24
ACD/KOC (pH 7.4): 14.78
Polar Surface Area: 90 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 469.5±7.0 cm3

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