ChemSpider 2D Image | 1-{6-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfinyl]hexyl}-3,5-dimethyl-1H-pyrazole | C26H30N4OS

1-{6-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfinyl]hexyl}-3,5-dimethyl-1H-pyrazole

  • Molecular FormulaC26H30N4OS
  • Average mass446.608 Da
  • Monoisotopic mass446.214020 Da
  • ChemSpider ID23212915

More details:

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

1-{6-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfinyl]hexyl}-3,5-dimethyl-1H-pyrazol [German] [ACD/IUPAC Name]
1-{6-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfinyl]hexyl}-3,5-dimethyl-1H-pyrazole [ACD/IUPAC Name]
1-{6-[(4,5-Diphényl-1H-imidazol-2-yl)sulfinyl]hexyl}-3,5-diméthyl-1H-pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole, 1-[6-[(4,5-diphenyl-1H-imidazol-2-yl)sulfinyl]hexyl]-3,5-dimethyl- [ACD/Index Name]
1-[6-(4,5-Diphenyl-1H-imidazole-2-sulfinyl)-hexyl]-3,5-dimethyl-1H-pyrazole
CHEMBL434418
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL434418/
RP-73163

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.5±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±32.1 °C
Index of Refraction: 1.645
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1157.42
ACD/KOC (pH 5.5): 5414.65
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1162.68
ACD/KOC (pH 7.4): 5439.26
Polar Surface Area: 83 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 369.0±7.0 cm3

Click to predict properties on the Chemicalize site


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