ChemSpider 2D Image | 1-{(3S,4S)-4-(3-Chlorophenoxy)-3-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperidinyl}-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-propanone | C26H34ClN3O4

1-{(3S,4S)-4-(3-Chlorophenoxy)-3-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperidinyl}-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-propanone

  • Molecular FormulaC26H34ClN3O4
  • Average mass488.019 Da
  • Monoisotopic mass487.223785 Da
  • ChemSpider ID68650048

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{(3S,4S)-4-(3-Chlorophenoxy)-3-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperidinyl}-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-propanone [ACD/IUPAC Name]
1-{(3S,4S)-4-(3-Chlorophénoxy)-3-[2-oxo-2-(1-pipéridinyl)éthyl]-1-pipéridinyl}-3-(3,5-diméthyl-1,2-oxazol-4-yl)-1-propanone [French] [ACD/IUPAC Name]
1-{(3S,4S)-4-(3-Chlorphenoxy)-3-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperidinyl}-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[(3S,4S)-4-(3-chlorophenoxy)-3-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperidinyl]-3-(3,5-dimethyl-4-isoxazolyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 700.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 130.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1763.14
ACD/KOC (pH 5.5): 7333.14
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1763.15
ACD/KOC (pH 7.4): 7333.15
Polar Surface Area: 76 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 400.8±3.0 cm3

Click to predict properties on the Chemicalize site


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