ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{2-cyano-4-[(Z)-{[3-(1H-imidazol-4-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoyl]hydrazono}methyl]phenyl}-1-piperazinecarboxylate (non-preferred name) | C28H38N8O5

2-Methyl-2-propanyl 4-{2-cyano-4-[(Z)-{[3-(1H-imidazol-4-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoyl]hydrazono}methyl]phenyl}-1-piperazinecarboxylate (non-preferred name)

  • Molecular FormulaC28H38N8O5
  • Average mass566.652 Da
  • Monoisotopic mass566.296509 Da
  • ChemSpider ID100780605

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-2-propanyl 4-{2-cyano-4-[(Z)-{[3-(1H-imidazol-4-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoyl]hydrazono}methyl]phenyl}-1-piperazinecarboxylate (non-preferred name) [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{2-cyan-4-[(Z)-{[3-(1H-imidazol-4-yl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoyl]hydrazono}methyl]phenyl}-1-piperazincarboxylat (non-preferred name) [German] [ACD/IUPAC Name]
4-{2-Cyano-4-[(Z)-{[3-(1H-imidazol-4-yl)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoyl]hydrazono}méthyl]phényl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 154.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 22.23
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 39.51
ACD/KOC (pH 7.4): 443.06
Polar Surface Area: 165 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 449.2±7.0 cm3

Click to predict properties on the Chemicalize site


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