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Search term: QIPWTYSOANVUKJ-WZONZLPQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (8beta)-N~8~,N~8~-Diethyl-N~6~-phenyl-9,10-didehydroergoline-6,8-dicarboxamide | C26H28N4O2

(8β)-N8,N8-Diethyl-N6-phenyl-9,10-didehydroergoline-6,8-dicarboxamide

  • Molecular FormulaC26H28N4O2
  • Average mass428.526 Da
  • Monoisotopic mass428.221222 Da
  • ChemSpider ID24642519

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8β)-N8,N8-Diethyl-N6-phenyl-9,10-didehydroergolin-6,8-dicarboxamid [German] [ACD/IUPAC Name]
(8β)-N8,N8-Diethyl-N6-phenyl-9,10-didehydroergoline-6,8-dicarboxamide [ACD/IUPAC Name]
(8β)-N8,N8-Diéthyl-N6-phényl-9,10-didéhydroergoline-6,8-dicarboxamide [French] [ACD/IUPAC Name]
Ergoline-6,8-dicarboxamide, 9,10-didehydro-N8,N8-diethyl-N6-phenyl-, (8β)- [ACD/Index 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: 718.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.4±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 392.05
ACD/KOC (pH 5.5): 2499.84
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 392.05
ACD/KOC (pH 7.4): 2499.86
Polar Surface Area: 68 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 329.1±5.0 cm3

Click to predict properties on the Chemicalize site


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