ChemSpider 2D Image | 1-{8-[Bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl}-3-methylurea | C28H29Cl2N3O

1-{8-[Bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl}-3-methylurea

  • Molecular FormulaC28H29Cl2N3O
  • Average mass494.455 Da
  • Monoisotopic mass493.168762 Da
  • ChemSpider ID24693126

More details:

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

1-{8-[Bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl}-3-methylurea [ACD/IUPAC Name]
1-{8-[Bis(2-chlorophényl)méthyl]-3-phényl-8-azabicyclo[3.2.1]oct-3-yl}-3-méthylurée [French] [ACD/IUPAC Name]
1-{8-[Bis(2-chlorphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl}-3-methylharnstoff [German] [ACD/IUPAC Name]
Urea, N-[8-[bis(2-chlorophenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]oct-3-yl]-N'-methyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL467314/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 152.48
ACD/KOC (pH 5.5): 383.45
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 5481.10
ACD/KOC (pH 7.4): 13783.67
Polar Surface Area: 44 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 376.9±5.0 cm3

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