ChemSpider 2D Image | N'-{(Z)-[4-(Hexyloxy)-3-methoxyphenyl]methylene}-2-[(4-methyl-5-{[(3-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide | C27H36N6O3S

N'-{(Z)-[4-(Hexyloxy)-3-methoxyphenyl]methylene}-2-[(4-methyl-5-{[(3-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID100064337

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[[4-methyl-5-[[(3-methylphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[4-(hexyloxy)-3-methoxyphenyl]methylene]hydrazide [ACD/Index Name]
N'-{(Z)-[4-(Hexyloxy)-3-methoxyphenyl]methylen}-2-[(4-methyl-5-{[(3-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazid [German] [ACD/IUPAC Name]
N'-{(Z)-[4-(Hexyloxy)-3-methoxyphenyl]methylene}-2-[(4-methyl-5-{[(3-methylphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide [ACD/IUPAC Name]
N'-{(Z)-[4-(Hexyloxy)-3-méthoxyphényl]méthylène}-2-[(4-méthyl-5-{[(3-méthylphényl)amino]méthyl}-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 149.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5585.50
ACD/KOC (pH 5.5): 16726.92
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5599.28
ACD/KOC (pH 7.4): 16768.16
Polar Surface Area: 128 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 436.7±7.0 cm3

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