ChemSpider 2D Image | 2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazolidin-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide | C25H25ClN6O4S

2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazolidin-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide

  • Molecular FormulaC25H25ClN6O4S
  • Average mass541.022 Da
  • Monoisotopic mass540.134644 Da
  • ChemSpider ID111103869

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazolidin-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethylidene]acetohydrazide [ACD/IUPAC Name]
2-{[4-(4-Chlorophényl)-5-(4-méthoxyphényl)-1,2,4-triazolidin-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophényl)éthylidène]acétohydrazide [French] [ACD/IUPAC Name]
2-{[4-(4-Chlorphenyl)-5-(4-methoxyphenyl)-1,2,4-triazolidin-3-yl]sulfanyl}-N'-[(1E)-1-(3-nitrophenyl)ethyliden]acetohydrazid [German] [ACD/IUPAC Name]
Acetic acid, 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazolidin-3-yl]thio]-, 2-[(1E)-1-(3-nitrophenyl)ethylidene]hydrazide [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: 1.678
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 184.57
ACD/KOC (pH 5.5): 1152.22
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.60
ACD/KOC (pH 7.4): 2594.56
Polar Surface Area: 149 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 381.2±7.0 cm3

Click to predict properties on the Chemicalize site


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