ChemSpider 2D Image | 7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarboximidato)-1H-pyrrolium-1-yl]-3,5-dihydroxyheptanoate | C33H34FN2O5

7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarboximidato)-1H-pyrrolium-1-yl]-3,5-dihydroxyheptanoate

  • Molecular FormulaC33H34FN2O5
  • Average mass557.632 Da
  • Monoisotopic mass557.245728 Da
  • ChemSpider ID21240861
  • Charge - Charge


More details:






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

1H-Pyrrole-1-heptanoato, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[hydroxy(phenylimino)methyl]-5-(1-methylethyl)-3-phenyl-, inner salt, ion(1-) [ACD/Index Name]
7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarboximidato)-1H-pyrrolium-1-yl]-3,5-dihydroxyheptanoate [ACD/IUPAC Name]
7-[2-(4-Fluorophényl)-5-isopropyl-3-phényl-4-(phénylcarboximidato)-1H-pyrrolium-1-yl]-3,5-dihydroxyheptanoate [French] [ACD/IUPAC Name]
7-[2-(4-Fluorphenyl)-5-isopropyl-3-phenyl-4-(phenylcarboximidato)-1H-pyrrolium-1-yl]-3,5-dihydroxyheptanoat [German] [ACD/IUPAC Name]

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

Density:
Boiling Point: 781.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.7±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 3.37
ACD/KOC (pH 5.5): 13.22
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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