ChemSpider 2D Image | N'-{(Z)-[3-Allyl-4-(allyloxy)-5-ethoxyphenyl]methylene}-2-[(5-{[(3-chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide | C27H31ClN6O3S

N'-{(Z)-[3-Allyl-4-(allyloxy)-5-ethoxyphenyl]methylene}-2-[(5-{[(3-chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

  • Molecular FormulaC27H31ClN6O3S
  • Average mass555.091 Da
  • Monoisotopic mass554.186707 Da
  • ChemSpider ID100109081

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[[5-[[(3-chlorophenyl)amino]methyl]-4-methyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[3-ethoxy-5-(2-propen-1-yl)-4-(2-propen-1-yloxy)phenyl]methylene]hydrazide [ACD/Index Name]
N'-{(Z)-[3-Allyl-4-(allyloxy)-5-ethoxyphenyl]methylen}-2-[(5-{[(3-chlorphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazid [German] [ACD/IUPAC Name]
N'-{(Z)-[3-Allyl-4-(allyloxy)-5-ethoxyphenyl]methylene}-2-[(5-{[(3-chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide [ACD/IUPAC Name]
N'-{(Z)-[3-Allyl-4-(allyloxy)-5-éthoxyphényl]méthylène}-2-[(5-{[(3-chlorophényl)amino]méthyl}-4-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: 1.606
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4970.90
ACD/KOC (pH 5.5): 15397.63
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4972.19
ACD/KOC (pH 7.4): 15401.60
Polar Surface Area: 128 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 446.0±7.0 cm3

Click to predict properties on the Chemicalize site


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