ChemSpider 2D Image | 2-{(3S,4S)-4-(3-Chlorophenoxy)-1-[(3-isobutyl-1,2-oxazol-5-yl)carbonyl]-3-piperidinyl}-1-(1-piperidinyl)ethanone | C26H34ClN3O4

2-{(3S,4S)-4-(3-Chlorophenoxy)-1-[(3-isobutyl-1,2-oxazol-5-yl)carbonyl]-3-piperidinyl}-1-(1-piperidinyl)ethanone

  • Molecular FormulaC26H34ClN3O4
  • Average mass488.019 Da
  • Monoisotopic mass487.223785 Da
  • ChemSpider ID68724412

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{(3S,4S)-4-(3-Chlorophenoxy)-1-[(3-isobutyl-1,2-oxazol-5-yl)carbonyl]-3-piperidinyl}-1-(1-piperidinyl)ethanone [ACD/IUPAC Name]
2-{(3S,4S)-4-(3-Chlorophénoxy)-1-[(3-isobutyl-1,2-oxazol-5-yl)carbonyl]-3-pipéridinyl}-1-(1-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
2-{(3S,4S)-4-(3-Chlorphenoxy)-1-[(3-isobutyl-1,2-oxazol-5-yl)carbonyl]-3-piperidinyl}-1-(1-piperidinyl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-[(3S,4S)-4-(3-chlorophenoxy)-1-[[3-(2-methylpropyl)-5-isoxazolyl]carbonyl]-3-piperidinyl]-1-(1-piperidinyl)- [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: 678.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.0±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 130.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.83
ACD/KOC (pH 5.5): 1862.24
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.83
ACD/KOC (pH 7.4): 1862.25
Polar Surface Area: 76 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 403.0±3.0 cm3

Click to predict properties on the Chemicalize site


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