ChemSpider 2D Image | 3-[(4S)-1-(1,3-Benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-methyl-2-pentanyl]propanamide | C20H27N3O6

3-[(4S)-1-(1,3-Benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-methyl-2-pentanyl]propanamide

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID32511177
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-[(4S)-1-(1,3-Benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-methyl-2-pentanyl]propanamid [German] [ACD/IUPAC Name]
3-[(4S)-1-(1,3-Benzodioxol-5-ylmethyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-methyl-2-pentanyl]propanamide [ACD/IUPAC Name]
3-[(4S)-1-(1,3-Benzodioxol-5-ylméthyl)-2,5-dioxo-4-imidazolidinyl]-N-[(2S)-1-hydroxy-4-méthyl-2-pentanyl]propanamide [French] [ACD/IUPAC Name]
4-Imidazolidinepropanamide, 1-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-2,5-dioxo-, (4S)- [ACD/Index Name]
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide
C20H27N3O6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.19
ACD/KOC (pH 5.5): 97.05
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 81.21
Polar Surface Area: 117 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 315.6±3.0 cm3

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