ChemSpider 2D Image | N-[(8alpha,10xi)-2-Chloro-6-methylergolin-8-yl]-2,2-dimethylpropanamide | C20H26ClN3O

N-[(8α,10ξ)-2-Chloro-6-methylergolin-8-yl]-2,2-dimethylpropanamide

  • Molecular FormulaC20H26ClN3O
  • Average mass359.893 Da
  • Monoisotopic mass359.176453 Da
  • ChemSpider ID18741384

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

N-[(8α,10ξ)-2-Chlor-6-methylergolin-8-yl]-2,2-dimethylpropanamid [German] [ACD/IUPAC Name]
N-[(8α,10ξ)-2-Chloro-6-methylergolin-8-yl]-2,2-dimethylpropanamide [ACD/IUPAC Name]
N-[(8α,10ξ)-2-Chloro-6-méthylergolin-8-yl]-2,2-diméthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(8α,10ξ)-2-chloro-6-methylergolin-8-yl]-2,2-dimethyl- [ACD/Index Name]
N-(5-Chloro-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-2,2-dimethyl-propionamide
SDZ-208-912

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 8.84
ACD/KOC (pH 5.5): 53.86
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 275.81
ACD/KOC (pH 7.4): 1679.93
Polar Surface Area: 48 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 285.9±5.0 cm3

Click to predict properties on the Chemicalize site


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