ChemSpider 2D Image | N-(2-Iminoethyl)-3-[5-(iminomethyl)-1,3,4-oxadiazol-2-yl]-Nalpha-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phenylalaninamide | C23H28N8O3

N-(2-Iminoethyl)-3-[5-(iminomethyl)-1,3,4-oxadiazol-2-yl]-Nα-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phenylalaninamide

  • Molecular FormulaC23H28N8O3
  • Average mass464.520 Da
  • Monoisotopic mass464.228424 Da
  • ChemSpider ID26327315
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Pyrazole-5-carboxamide, 3-(1,1-dimethylethyl)-N-[(1S)-2-[(2-iminoethyl)amino]-1-[[3-[5-(iminomethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-oxoethyl]-1-methyl- [ACD/Index Name]
N-(2-Iminoethyl)-3-[5-(iminomethyl)-1,3,4-oxadiazol-2-yl]-Nα-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(2-Iminoethyl)-3-[5-(iminomethyl)-1,3,4-oxadiazol-2-yl]-Nα-{[1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phenylalaninamide [ACD/IUPAC Name]
N-(2-Iminoéthyl)-3-[5-(iminométhyl)-1,3,4-oxadiazol-2-yl]-Nα-{[1-méthyl-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]

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: 1.650
Molar Refractivity: 126.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.69
Polar Surface Area: 163 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 347.7±7.0 cm3

Click to predict properties on the Chemicalize site






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