ChemSpider 2D Image | 1-[4-(4-Bromophenyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone | C24H20BrClN2O

1-[4-(4-Bromophenyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone

  • Molecular FormulaC24H20BrClN2O
  • Average mass467.785 Da
  • Monoisotopic mass466.044739 Da
  • ChemSpider ID21677895

More details:

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

1-[4-(4-Bromophenyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone [ACD/IUPAC Name]
1-[4-(4-Bromophényl)-1-(4-chlorophényl)-5,6,7,8-tétrahydro-2a,4a-diazacyclopenta[cd]azulén-2-yl]éthanone [French] [ACD/IUPAC Name]
1-[4-(4-Bromphenyl)-1-(4-chlorphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-(4-bromophenyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopent[cd]azulen-2-yl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23884.60
ACD/KOC (pH 5.5): 47363.33
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23884.60
ACD/KOC (pH 7.4): 47363.33
Polar Surface Area: 26 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 316.0±7.0 cm3

Click to predict properties on the Chemicalize site


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