ChemSpider 2D Image | 3-{(4S)-1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,5-dioxo-4-imidazolidinyl}-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide | C27H40N4O5

3-{(4S)-1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,5-dioxo-4-imidazolidinyl}-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID35146025

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-{(4S)-1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,5-dioxo-4-imidazolidinyl}-N-methyl-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]propanamid [German] [ACD/IUPAC Name]
3-{(4S)-1-[2-(3,4-Dimethoxyphenyl)ethyl]-2,5-dioxo-4-imidazolidinyl}-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide [ACD/IUPAC Name]
3-{(4S)-1-[2-(3,4-Diméthoxyphényl)éthyl]-2,5-dioxo-4-imidazolidinyl}-N-méthyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]propanamide [French] [ACD/IUPAC Name]
4-Imidazolidinepropanamide, 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-2,5-dioxo-, (4S)- [ACD/Index Name]
3-((S)-1-(3,4-dimethoxyphenethyl)-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)propanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.69
Polar Surface Area: 91 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 406.1±5.0 cm3

Click to predict properties on the Chemicalize site


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