ChemSpider 2D Image | N'-{[4-(Diethylamino)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide | C27H29N7O2S

N'-{[4-(Diethylamino)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID5185734

More details:

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

Acetic acid, 2-[[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[[4-(diethylamino)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl]hydrazide [ACD/Index Name]
N'-{[4-(Diethylamino)-6-oxo-2,4-cyclohexadien-1-yliden]methyl}-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazid [German] [ACD/IUPAC Name]
N'-{[4-(Diethylamino)-6-oxo-2,4-cyclohexadien-1-ylidene]methyl}-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide [ACD/IUPAC Name]
N'-{[4-(Diéthylamino)-6-oxo-2,4-cyclohexadién-1-ylidène]méthyl}-2-{[4-(4-méthylphényl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétohydrazide [French] [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: 1.658
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.63
ACD/KOC (pH 5.5): 1638.15
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.85
ACD/KOC (pH 7.4): 1662.31
Polar Surface Area: 130 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 404.2±7.0 cm3

Click to predict properties on the Chemicalize site


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