ChemSpider 2D Image | 5-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2-ethoxybenzyl acetate | C26H33N7O5S

5-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2-ethoxybenzyl acetate

  • Molecular FormulaC26H33N7O5S
  • Average mass555.649 Da
  • Monoisotopic mass555.226379 Da
  • ChemSpider ID81868960

  • Double-bond stereo - Double-bond stereo

More details:

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

5-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2-ethoxybenzyl acetate [ACD/IUPAC Name]
5-{(Z)-[({[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}-2-ethoxybenzyl-acetat [German] [ACD/IUPAC Name]
Acétate de 5-{(Z)-[(2-{[5-(1,5-diméthyl-1H-pyrazol-3-yl)-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)hydrazono]méthyl}-2-éthoxybenzyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[3-[(acetyloxy)methyl]-4-ethoxyphenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.02
ACD/KOC (pH 5.5): 1516.51
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.00
ACD/KOC (pH 7.4): 1516.33
Polar Surface Area: 160 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

Click to predict properties on the Chemicalize site


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