ChemSpider 2D Image | 4-{[4-Amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylene]butanehydrazide | C20H21N7O5S

4-{[4-Amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylene]butanehydrazide

  • Molecular FormulaC20H21N7O5S
  • Average mass471.490 Da
  • Monoisotopic mass471.132477 Da
  • ChemSpider ID62364556

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[4-Amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylen]butanhydrazid [German] [ACD/IUPAC Name]
4-{[4-Amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylene]butanehydrazide [ACD/IUPAC Name]
4-{[4-Amino-5-(3-nitrophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-hydroxy-3-méthoxyphényl)méthylène]butanehydrazide [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-amino-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]hydrazide [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.42
ACD/KOC (pH 5.5): 867.32
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 76.98
ACD/KOC (pH 7.4): 746.73
Polar Surface Area: 199 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 315.1±7.0 cm3

Click to predict properties on the Chemicalize site


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