ChemSpider 2D Image | (2E)-1-(2-Hydroxyphenyl)-3-[(1S,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-propen-1-one | C19H19N3O2

(2E)-1-(2-Hydroxyphenyl)-3-[(1S,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-propen-1-one

  • Molecular FormulaC19H19N3O2
  • Average mass321.373 Da
  • Monoisotopic mass321.147736 Da
  • ChemSpider ID114642477

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-1-(2-Hydroxyphenyl)-3-[(1S,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(2-Hydroxyphenyl)-3-[(1S,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(2-Hydroxyphényl)-3-[(1S,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(2-hydroxyphenyl)-3-[(1S,4R)-5-(2-pyridinyl)-2,5-diazabicyclo[2.2.1]hept-2-yl]-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 273.4±30.1 °C
Index of Refraction: 1.712
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 16.92
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 37.31
ACD/KOC (pH 7.4): 351.29
Polar Surface Area: 57 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

Click to predict properties on the Chemicalize site


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