ChemSpider 2D Image | 3-[(4S)-1-(3,4-Dimethoxybenzyl)-2,5-dioxo-4-imidazolidinyl]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide | C28H42N4O6

3-[(4S)-1-(3,4-Dimethoxybenzyl)-2,5-dioxo-4-imidazolidinyl]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide

  • Molecular FormulaC28H42N4O6
  • Average mass530.656 Da
  • Monoisotopic mass530.310425 Da
  • ChemSpider ID58173674

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[(4S)-1-(3,4-Dimethoxybenzyl)-2,5-dioxo-4-imidazolidinyl]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]propanamid [German] [ACD/IUPAC Name]
3-[(4S)-1-(3,4-Dimethoxybenzyl)-2,5-dioxo-4-imidazolidinyl]-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]propanamide [ACD/IUPAC Name]
3-[(4S)-1-(3,4-Diméthoxybenzyl)-2,5-dioxo-4-imidazolidinyl]-N-(2-méthoxyéthyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]propanamide [French] [ACD/IUPAC Name]
4-Imidazolidinepropanamide, 1-[(3,4-dimethoxyphenyl)methyl]-N-(2-methoxyethyl)-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-2,5-dioxo-, (4S)- [ACD/Index Name]

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: 1.584
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 101 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 428.1±5.0 cm3

Click to predict properties on the Chemicalize site


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