ChemSpider 2D Image | Methyl 4-[(E)-({4-amino-5-[(2-{[2-(butylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)methyl]benzoate | C23H27N7O3S2

Methyl 4-[(E)-({4-amino-5-[(2-{[2-(butylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)methyl]benzoate

  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID62428971

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(E)-({4-Amino-5-[(2-{[2-(butylsulfanyl)phényl]amino}-2-oxoéthyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(E)-[2-[4-amino-5-[[2-[[2-(butylthio)phenyl]amino]-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]hydrazinylidene]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-[(E)-({4-amino-5-[(2-{[2-(butylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)methyl]benzoate [ACD/IUPAC Name]
Methyl-4-[(E)-({4-amino-5-[(2-{[2-(butylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}hydrazono)methyl]benzoat [German] [ACD/IUPAC 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: 1.669
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1646.66
ACD/KOC (pH 5.5): 6980.15
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1644.88
ACD/KOC (pH 7.4): 6972.60
Polar Surface Area: 187 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 376.3±7.0 cm3

Click to predict properties on the Chemicalize site


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