ChemSpider 2D Image | 1-(4-Bromophenyl)-2-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone | C22H20BrN5OS

1-(4-Bromophenyl)-2-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone

  • Molecular FormulaC22H20BrN5OS
  • Average mass482.396 Da
  • Monoisotopic mass481.057190 Da
  • ChemSpider ID24741531

More details:

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

1-(4-Bromophenyl)-2-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone [ACD/IUPAC Name]
1-(4-Bromophényl)-2-({5-[(3,5-diméthyl-1H-pyrazol-1-yl)méthyl]-4-phényl-4H-1,2,4-triazol-3-yl}sulfanyl)éthanone [French] [ACD/IUPAC Name]
1-(4-Bromphenyl)-2-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-(4-bromophenyl)-2-[[5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]- [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: 673.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.3±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4848.28
ACD/KOC (pH 5.5): 15119.26
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4856.28
ACD/KOC (pH 7.4): 15144.20
Polar Surface Area: 91 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 330.8±7.0 cm3

Click to predict properties on the Chemicalize site


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