ChemSpider 2D Image | Diethyl N-{[2-({[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazino]carbonothioyl}glutamate | C24H32N6O6S2

Diethyl N-{[2-({[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazino]carbonothioyl}glutamate

  • Molecular FormulaC24H32N6O6S2
  • Average mass564.677 Da
  • Monoisotopic mass564.182495 Da
  • ChemSpider ID102410691

More details:

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

Diethyl N-{[2-({[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazino]carbonothioyl}glutamate [ACD/IUPAC Name]
Diethyl-N-{[2-({[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazino]carbonothioyl}glutamat [German] [ACD/IUPAC Name]
Glutamic acid, N-[[2-[2-[[5-(phenoxymethyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinyl]thioxomethyl]-, diethyl ester [ACD/Index Name]
N-{[2-(2-{[4-Allyl-5-(phénoxyméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)hydrazino]carbonothioyl}glutamate de diéthyle [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: 1.612
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.86
ACD/KOC (pH 5.5): 978.66
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 89.18
ACD/KOC (pH 7.4): 824.44
Polar Surface Area: 203 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 427.5±7.0 cm3

Click to predict properties on the Chemicalize site


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