ChemSpider 2D Image | 6-{[1-(4-Chlorophenyl)-1H-pyrazol-3-yl]methyl}-6,7-dihydro-5H-dibenzo[c,e]azepine | C24H20ClN3

6-{[1-(4-Chlorophenyl)-1H-pyrazol-3-yl]methyl}-6,7-dihydro-5H-dibenzo[c,e]azepine

  • Molecular FormulaC24H20ClN3
  • Average mass385.889 Da
  • Monoisotopic mass385.134583 Da
  • ChemSpider ID114913581

More details:

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

5H-Dibenz[c,e]azepine, 6-[[1-(4-chlorophenyl)-1H-pyrazol-3-yl]methyl]-6,7-dihydro- [ACD/Index Name]
6-{[1-(4-Chlorophenyl)-1H-pyrazol-3-yl]methyl}-6,7-dihydro-5H-dibenzo[c,e]azepine [ACD/IUPAC Name]
6-{[1-(4-Chlorophényl)-1H-pyrazol-3-yl]méthyl}-6,7-dihydro-5H-dibenzo[c,e]azépine [French] [ACD/IUPAC Name]
6-{[1-(4-Chlorphenyl)-1H-pyrazol-3-yl]methyl}-6,7-dihydro-5H-dibenzo[c,e]azepin [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.5±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 5851.04
ACD/KOC (pH 5.5): 14830.68
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 9979.41
ACD/KOC (pH 7.4): 25294.89
Polar Surface Area: 21 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 311.8±7.0 cm3

Click to predict properties on the Chemicalize site


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