ChemSpider 2D Image | N-[(2S)-3-Methyl-2-{1-[(3R,5E)-2-oxo-5-hepten-3-yl]-1H-1,2,3-triazol-4-yl}-2-butanyl]benzamide | C21H28N4O2

N-[(2S)-3-Methyl-2-{1-[(3R,5E)-2-oxo-5-hepten-3-yl]-1H-1,2,3-triazol-4-yl}-2-butanyl]benzamide

  • Molecular FormulaC21H28N4O2
  • Average mass368.473 Da
  • Monoisotopic mass368.221222 Da
  • ChemSpider ID25060219

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[(1S)-1-[1-[(1R,3E)-1-acetyl-3-penten-1-yl]-1H-1,2,3-triazol-4-yl]-1,2-dimethylpropyl]- [ACD/Index Name]
N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE
N-[(2S)-3-Methyl-2-{1-[(3R,5E)-2-oxo-5-hepten-3-yl]-1H-1,2,3-triazol-4-yl}-2-butanyl]benzamid [German] [ACD/IUPAC Name]
N-[(2S)-3-Methyl-2-{1-[(3R,5E)-2-oxo-5-hepten-3-yl]-1H-1,2,3-triazol-4-yl}-2-butanyl]benzamide [ACD/IUPAC Name]
N-[(2S)-3-Méthyl-2-{1-[(3R,5E)-2-oxo-5-heptén-3-yl]-1H-1,2,3-triazol-4-yl}-2-butanyl]benzamide [French] [ACD/IUPAC Name]
N-[(2S)-3-methyl-2-{1-[(3R,5E)-2-oxohept-5-en-3-yl]-1,2,3-triazol-4-yl}butan-2-yl]benzamide
N-[(2S)-3-methyl-2-{1-[(3R,5E)-2-oxohept-5-en-3-yl]-1H-1,2,3-triazol-4-yl}butan-2-yl]benzamide

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.61
ACD/KOC (pH 5.5): 1429.72
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.60
ACD/KOC (pH 7.4): 1429.70
Polar Surface Area: 77 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 334.0±7.0 cm3

Click to predict properties on the Chemicalize site


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