ChemSpider 2D Image | (8beta,10beta)-N-[(1S,2R)-2-Hydroxycyclopentyl]-1-isopropyl-6-methylergoline-8-carboxamide | C24H33N3O2

(8β,10β)-N-[(1S,2R)-2-Hydroxycyclopentyl]-1-isopropyl-6-methylergoline-8-carboxamide

  • Molecular FormulaC24H33N3O2
  • Average mass395.538 Da
  • Monoisotopic mass395.257263 Da
  • ChemSpider ID32821926

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(8β,10β)-N-[(1S,2R)-2-Hydroxycyclopentyl]-1-isopropyl-6-methylergolin-8-carboxamid [German] [ACD/IUPAC Name]
(8β,10β)-N-[(1S,2R)-2-Hydroxycyclopentyl]-1-isopropyl-6-methylergoline-8-carboxamide [ACD/IUPAC Name]
(8β,10β)-N-[(1S,2R)-2-Hydroxycyclopentyl]-1-isopropyl-6-méthylergoline-8-carboxamide [French] [ACD/IUPAC Name]
Ergoline-8-carboxamide, N-[(1S,2R)-2-hydroxycyclopentyl]-6-methyl-1-(1-methylethyl)-, (8β,10β)- [ACD/Index Name]
(6aR,9R,10aS)-N-((1S,2R)-2-hydroxycyclopentyl)-4-isopropyl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
137328-52-0 [RN]

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

LY 215840 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 18.42
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 60.38
ACD/KOC (pH 7.4): 567.72
Polar Surface Area: 58 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 294.4±7.0 cm3

Click to predict properties on the Chemicalize site


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