ChemSpider 2D Image | (E)-N-{3-(Allylsulfanyl)-5-[2-(2-chlorophenyl)ethyl]-4H-1,2,4-triazol-4-yl}-1-(3-bromophenyl)methanimine | C20H18BrClN4S

(E)-N-{3-(Allylsulfanyl)-5-[2-(2-chlorophenyl)ethyl]-4H-1,2,4-triazol-4-yl}-1-(3-bromophenyl)methanimine

  • Molecular FormulaC20H18BrClN4S
  • Average mass461.806 Da
  • Monoisotopic mass460.012390 Da
  • ChemSpider ID126388244

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-{3-(Allylsulfanyl)-5-[2-(2-chlorophenyl)ethyl]-4H-1,2,4-triazol-4-yl}-1-(3-bromophenyl)methanimine [ACD/IUPAC Name]
(E)-N-{3-(Allylsulfanyl)-5-[2-(2-chlorophényl)éthyl]-4H-1,2,4-triazol-4-yl}-1-(3-bromophényl)méthanimine [French] [ACD/IUPAC Name]
(E)-N-{3-(Allylsulfanyl)-5-[2-(2-chlorphenyl)ethyl]-4H-1,2,4-triazol-4-yl}-1-(3-bromphenyl)methanimin [German] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(1E)-(3-bromophenyl)methylene]-3-[2-(2-chlorophenyl)ethyl]-5-(2-propen-1-ylthio)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.3±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 120.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19197.64
ACD/KOC (pH 5.5): 40503.27
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19204.60
ACD/KOC (pH 7.4): 40517.95
Polar Surface Area: 68 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 329.3±7.0 cm3

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