ChemSpider 2D Image | (3-endo)-8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azabicyclo[3.2.1]octane | C29H31NO

(3-endo)-8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC29H31NO
  • Average mass409.563 Da
  • Monoisotopic mass409.240570 Da
  • ChemSpider ID28432338

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-endo)-8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(3-endo)-8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(3-endo)-8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulén-5-yloxy)-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-(phenylmethyl)-, (3-endo) [ACD/Index Name]
(3-endo,8-anti)-8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
BS2
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1794606/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 152.2±32.4 °C
Index of Refraction: 1.651
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 22.22
ACD/KOC (pH 5.5): 43.39
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 194.03
ACD/KOC (pH 7.4): 378.98
Polar Surface Area: 12 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 346.2±5.0 cm3

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