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

3-[(Z)-({[(5-{1-[(4-Methoxyphenyl)amino]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl 2-furoate

  • Molecular FormulaC31H28N6O5S
  • Average mass596.656 Da
  • Monoisotopic mass596.184204 Da
  • ChemSpider ID100382158

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Furancarboxylic acid, 3-[(Z)-[2-[2-[[5-[1-[(4-methoxyphenyl)amino]ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazinylidene]methyl]phenyl ester [ACD/Index Name]
2-Furoate de 3-[(Z)-({2-[(5-{1-[(4-méthoxyphényl)amino]éthyl}-4-phényl-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}hydrazono)méthyl]phényle [French] [ACD/IUPAC Name]
3-[(Z)-({[(5-{1-[(4-Methoxyphenyl)amino]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl 2-furoate [ACD/IUPAC Name]
3-[(Z)-({[(5-{1-[(4-Methoxyphenyl)amino]ethyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazono)methyl]phenyl-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: 1.657
Molar Refractivity: 165.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7181.08
ACD/KOC (pH 5.5): 19951.60
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7288.77
ACD/KOC (pH 7.4): 20250.80
Polar Surface Area: 158 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 449.2±7.0 cm3

Click to predict properties on the Chemicalize site


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