ChemSpider 2D Image | (E)-N-[3-(Allylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]-1-(4-methoxyphenyl)methanimine | C22H24N4O4S

(E)-N-[3-(Allylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]-1-(4-methoxyphenyl)methanimine

  • Molecular FormulaC22H24N4O4S
  • Average mass440.515 Da
  • Monoisotopic mass440.151825 Da
  • ChemSpider ID30655729

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-[3-(Allylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]-1-(4-methoxyphenyl)methanimin [German] [ACD/IUPAC Name]
(E)-N-[3-(Allylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]-1-(4-methoxyphenyl)methanimine [ACD/IUPAC Name]
(E)-N-[3-(Allylsulfanyl)-5-(3,4,5-triméthoxyphényl)-4H-1,2,4-triazol-4-yl]-1-(4-méthoxyphényl)méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(1E)-(4-methoxyphenyl)methylene]-3-(2-propen-1-ylthio)-5-(3,4,5-trimethoxyphenyl)- [ACD/Index 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: 613.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.0±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 121.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 792.18
ACD/KOC (pH 5.5): 4135.97
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 792.21
ACD/KOC (pH 7.4): 4136.10
Polar Surface Area: 105 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 362.0±7.0 cm3

Click to predict properties on the Chemicalize site


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