ChemSpider 2D Image | Ethyl 4-(N-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}methionyl)-1-piperazinecarboxylate | C24H34N6O4S2

Ethyl 4-(N-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}methionyl)-1-piperazinecarboxylate

  • Molecular FormulaC24H34N6O4S2
  • Average mass534.695 Da
  • Monoisotopic mass534.208313 Da
  • ChemSpider ID121759716

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]-, ethyl ester [ACD/Index Name]
4-(N-{3-[(4-Méthyl-5-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}méthionyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(N-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}methionyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(N-{3-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoyl}methionyl)-1-piperazincarboxylat [German] [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: 1.640
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.41
ACD/KOC (pH 5.5): 936.18
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.42
ACD/KOC (pH 7.4): 936.27
Polar Surface Area: 160 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 404.1±7.0 cm3

Click to predict properties on the Chemicalize site


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