ChemSpider 2D Image | (E)-1-(2-Chlorophenyl)-N-{3-[(4-methylbenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl}methanimine | C26H25ClN4O3S

(E)-1-(2-Chlorophenyl)-N-{3-[(4-methylbenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl}methanimine

  • Molecular FormulaC26H25ClN4O3S
  • Average mass509.020 Da
  • Monoisotopic mass508.133575 Da
  • ChemSpider ID30655734

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-(2-Chlorophenyl)-N-{3-[(4-methylbenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl}methanimine [ACD/IUPAC Name]
(E)-1-(2-Chlorophényl)-N-{3-[(4-méthylbenzyl)sulfanyl]-5-(3,4,5-triméthoxyphényl)-4H-1,2,4-triazol-4-yl}méthanimine [French] [ACD/IUPAC Name]
(E)-1-(2-Chlorphenyl)-N-{3-[(4-methylbenzyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl}methanimin [German] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(1E)-(2-chlorophenyl)methylene]-3-[[(4-methylphenyl)methyl]thio]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 685.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.5±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29965.67
ACD/KOC (pH 5.5): 55711.82
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29966.76
ACD/KOC (pH 7.4): 55713.84
Polar Surface Area: 96 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 401.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement