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

Ethyl 3-(4-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)propanoate

  • Molecular FormulaC26H33N7O5S
  • Average mass555.649 Da
  • Monoisotopic mass555.226379 Da
  • ChemSpider ID81869735

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-{(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}phénoxy)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(4-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)propanoate [ACD/IUPAC Name]
Ethyl-3-(4-{(Z)-[({[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[4-[(Z)-[2-[2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]phenoxy]-, ethyl ester [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: 1.649
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.78
ACD/KOC (pH 5.5): 1694.81
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.76
ACD/KOC (pH 7.4): 1694.64
Polar Surface Area: 160 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 407.5±7.0 cm3

Click to predict properties on the Chemicalize site


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