ChemSpider 2D Image | (1S,5R)-3-(3-Chloro-4-fluorobenzoyl)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one | C19H22ClFN2O2

(1S,5R)-3-(3-Chloro-4-fluorobenzoyl)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

  • Molecular FormulaC19H22ClFN2O2
  • Average mass364.842 Da
  • Monoisotopic mass364.135376 Da
  • ChemSpider ID29469642

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-3-(3-Chlor-4-fluorbenzoyl)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-on [German] [ACD/IUPAC Name]
(1S,5R)-3-(3-Chloro-4-fluorobenzoyl)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one [ACD/IUPAC Name]
(1S,5R)-3-(3-Chloro-4-fluorobenzoyl)-6-(cyclobutylméthyl)-3,6-diazabicyclo[3.2.2]nonan-7-one [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.2.2]nonan-7-one, 3-(3-chloro-4-fluorobenzoyl)-6-(cyclobutylmethyl)-, (1S,5R)- [ACD/Index Name]
(1S*,5R*)-3-(3-chloro-4-fluorobenzoyl)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.29
ACD/KOC (pH 5.5): 1173.44
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.29
ACD/KOC (pH 7.4): 1173.44
Polar Surface Area: 41 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

Click to predict properties on the Chemicalize site


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