ChemSpider 2D Image | N,N-Diethyl-N'-[(8alpha,10beta)-1-ethyl-6-methylergolin-8-yl]sulfuric diamide | C21H32N4O2S

N,N-Diethyl-N'-[(8α,10β)-1-ethyl-6-methylergolin-8-yl]sulfuric diamide

  • Molecular FormulaC21H32N4O2S
  • Average mass404.569 Da
  • Monoisotopic mass404.224609 Da
  • ChemSpider ID57643552

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Diamide N,N-diéthyl-N'-[(8α,10β)-1-éthyl-6-méthylergolin-8-yl]sulfurique [French] [ACD/IUPAC Name]
N,N-Diethyl-N'-[(8α,10β)-1-ethyl-6-methylergolin-8-yl]schwefeldiamid [German] [ACD/IUPAC Name]
N,N-Diethyl-N'-[(8α,10β)-1-ethyl-6-methylergolin-8-yl]sulfuric diamide [ACD/IUPAC Name]
Sulfamide, N,N-diethyl-N'-[(8α,10β)-1-ethyl-6-methylergolin-8-yl]- [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: 571.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.6±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 21.31
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 112.26
ACD/KOC (pH 7.4): 830.24
Polar Surface Area: 66 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 310.4±7.0 cm3

Click to predict properties on the Chemicalize site


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