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Search term: BTQYZEOYKQHTED (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-(4-Fluorophenyl)-N-(2-hydroxyphenyl)-2-isopropyl-4-phenyl-1-(3,5,7,7-tetrahydroxy-6-hepten-1-yl)-1H-pyrrole-3-carboxamide | C33H35FN2O6

5-(4-Fluorophenyl)-N-(2-hydroxyphenyl)-2-isopropyl-4-phenyl-1-(3,5,7,7-tetrahydroxy-6-hepten-1-yl)-1H-pyrrole-3-carboxamide

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID95765342

More details:

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

1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-(3,5,7,7-tetrahydroxy-6-hepten-1-yl)- [ACD/Index Name]
5-(4-Fluorophenyl)-N-(2-hydroxyphenyl)-2-isopropyl-4-phenyl-1-(3,5,7,7-tetrahydroxy-6-hepten-1-yl)-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
5-(4-Fluorophényl)-N-(2-hydroxyphényl)-2-isopropyl-4-phényl-1-(3,5,7,7-tétrahydroxy-6-heptén-1-yl)-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
5-(4-Fluorphenyl)-N-(2-hydroxyphenyl)-2-isopropyl-4-phenyl-1-(3,5,7,7-tetrahydroxy-6-hepten-1-yl)-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 793.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.4±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 156.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 359.00
ACD/KOC (pH 5.5): 2346.98
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 354.11
ACD/KOC (pH 7.4): 2314.98
Polar Surface Area: 135 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 449.1±7.0 cm3

Click to predict properties on the Chemicalize site


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