ChemSpider 2D Image | 3,8-Bis{[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl}-3,8-diazabicyclo[3.2.1]octane | C36H42N4O6

3,8-Bis{[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl}-3,8-diazabicyclo[3.2.1]octane

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID20557858

More details:

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

3,8-Bis{[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl}-3,8-diazabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
3,8-Bis{[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl}-3,8-diazabicyclo[3.2.1]octane [ACD/IUPAC Name]
3,8-Bis{[2-(3,4,5-triméthoxyphényl)-4-pyridinyl]méthyl}-3,8-diazabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
3,8-bis{[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl}-3,8-diazabicyclo[3.2.1]octane
3,8-Diazabicyclo[3.2.1]octane, 3,8-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]- [ACD/Index Name]
3,8-bis-[2-(3,4,5-trimethoxy-phenyl)-pyridin-4-ylmethyl]-3,8-diaza-bicyclo[3.2.1]octane
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL389026/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.0±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 176.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 13.33
ACD/KOC (pH 7.4): 139.51
Polar Surface Area: 88 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 522.7±3.0 cm3

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