ChemSpider 2D Image | (E)-1-(3-Bromophenyl)-N-{3-[(3-chlorobenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}methanimine | C20H18BrClN4S

(E)-1-(3-Bromophenyl)-N-{3-[(3-chlorobenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}methanimine

  • Molecular FormulaC20H18BrClN4S
  • Average mass461.806 Da
  • Monoisotopic mass460.012390 Da
  • ChemSpider ID126586201

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-(3-Bromophenyl)-N-{3-[(3-chlorobenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}methanimine [ACD/IUPAC Name]
(E)-1-(3-Bromophényl)-N-{3-[(3-chlorobenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}méthanimine [French] [ACD/IUPAC Name]
(E)-1-(3-Bromphenyl)-N-{3-[(3-chlorbenzyl)sulfanyl]-5-cyclobutyl-4H-1,2,4-triazol-4-yl}methanimin [German] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(1E)-(3-bromophenyl)methylene]-3-[[(3-chlorophenyl)methyl]thio]-5-cyclobutyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 621.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.5±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 117.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17017.92
ACD/KOC (pH 5.5): 37153.21
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17027.98
ACD/KOC (pH 7.4): 37175.16
Polar Surface Area: 68 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 301.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement