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Search term: BWTCKKGQSUGPNA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{[2-Amino-6-({2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl}methyl)-3-pyridinyl]oxy}ethanol | C28H24ClN5O3

2-{[2-Amino-6-({2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl}methyl)-3-pyridinyl]oxy}ethanol

  • Molecular FormulaC28H24ClN5O3
  • Average mass513.975 Da
  • Monoisotopic mass513.156738 Da
  • ChemSpider ID9816789

More details:

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

2-{[2-Amino-6-({2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl}methyl)-3-pyridinyl]oxy}ethanol [ACD/IUPAC Name]
2-{[2-Amino-6-({2-(2-chlorophényl)-5-[4-(5-pyrimidinyloxy)phényl]-1H-pyrrol-1-yl}méthyl)-3-pyridinyl]oxy}éthanol [French] [ACD/IUPAC Name]
2-{[2-Amino-6-({2-(2-chlorphenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl}methyl)-3-pyridinyl]oxy}ethanol [German] [ACD/IUPAC Name]
Ethanol, 2-[[2-amino-6-[[2-(2-chlorophenyl)-5-[4-(5-pyrimidinyloxy)phenyl]-1H-pyrrol-1-yl]methyl]-3-pyridinyl]oxy]- [ACD/Index Name]
2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-3-yloxy)ethanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.7±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2240.27
ACD/KOC (pH 5.5): 8200.54
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2755.20
ACD/KOC (pH 7.4): 10085.41
Polar Surface Area: 108 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 381.4±7.0 cm3

Click to predict properties on the Chemicalize site


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