ChemSpider 2D Image | Methyl 5-[(4-{(Z)-[({[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)methyl]-2-furoate | C31H28N6O5S

Methyl 5-[(4-{(Z)-[({[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)methyl]-2-furoate

  • Molecular FormulaC31H28N6O5S
  • Average mass596.656 Da
  • Monoisotopic mass596.184204 Da
  • ChemSpider ID100038365

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Furancarboxylic acid, 5-[[4-[(Z)-[2-[2-[[4-phenyl-5-[(phenylamino)methyl]-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]phenoxy]methyl]-, methyl ester [ACD/Index Name]
5-[(4-{(Z)-[(2-{[5-(Anilinométhyl)-4-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)hydrazono]méthyl}phénoxy)méthyl]-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(4-{(Z)-[({[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)methyl]-2-furoate [ACD/IUPAC Name]
Methyl-5-[(4-{(Z)-[({[5-(anilinomethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}phenoxy)methyl]-2-furoat [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: 1.656
Molar Refractivity: 165.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9200.43
ACD/KOC (pH 5.5): 23921.19
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9206.76
ACD/KOC (pH 7.4): 23937.66
Polar Surface Area: 158 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 450.1±7.0 cm3

Click to predict properties on the Chemicalize site


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