ChemSpider 2D Image | {3-[(4-Chlorophenyl)(2-chloro-3-pyridinyl)methoxy]-1-azetidinyl}(1-piperidinyl)methanone | C21H23Cl2N3O2

{3-[(4-Chlorophenyl)(2-chloro-3-pyridinyl)methoxy]-1-azetidinyl}(1-piperidinyl)methanone

  • Molecular FormulaC21H23Cl2N3O2
  • Average mass420.332 Da
  • Monoisotopic mass419.116730 Da
  • ChemSpider ID24623544
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

{3-[(4-Chlorophenyl)(2-chloro-3-pyridinyl)methoxy]-1-azetidinyl}(1-piperidinyl)methanone [ACD/IUPAC Name]
{3-[(4-Chlorophényl)(2-chloro-3-pyridinyl)méthoxy]-1-azétidinyl}(1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
{3-[(4-Chlorphenyl)(2-chlor-3-pyridinyl)methoxy]-1-azetidinyl}(1-piperidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [3-[(4-chlorophenyl)(2-chloro-3-pyridinyl)methoxy]-1-azetidinyl]-1-piperidinyl- [ACD/Index Name]
(S)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl}piperidin-1-ylmethanone
VER-156084

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 550.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.0±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1847.43
ACD/KOC (pH 5.5): 7582.40
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1847.44
ACD/KOC (pH 7.4): 7582.42
Polar Surface Area: 46 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 307.6±5.0 cm3

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