Found 1 result

Search term: QUAXMSDBWHBBBP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [5-Chloro-2-methoxy-4-(1-naphthyl)phenyl][(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methanone | C28H30ClNO2

[5-Chloro-2-methoxy-4-(1-naphthyl)phenyl][(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methanone

  • Molecular FormulaC28H30ClNO2
  • Average mass447.996 Da
  • Monoisotopic mass447.196503 Da
  • ChemSpider ID24678170

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[5-Chlor-2-methoxy-4-(1-naphthyl)phenyl][(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methanon [German] [ACD/IUPAC Name]
[5-Chloro-2-methoxy-4-(1-naphthyl)phenyl][(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]methanone [ACD/IUPAC Name]
[5-Chloro-2-méthoxy-4-(1-naphtyl)phényl][(1S,5R)-1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-chloro-2-methoxy-4-(1-naphthalenyl)phenyl][(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]- [ACD/Index 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: 580.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.0±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 80006.77
ACD/KOC (pH 5.5): 112522.16
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 80006.85
ACD/KOC (pH 7.4): 112522.28
Polar Surface Area: 30 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 379.5±3.0 cm3

Click to predict properties on the Chemicalize site


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