ChemSpider 2D Image | 2-[(3S,4S)-4-Hydroxy-4-pentyl-3-phenoxy-1-piperidinyl]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide | C28H39N3O6S

2-[(3S,4S)-4-Hydroxy-4-pentyl-3-phenoxy-1-piperidinyl]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID68646052

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidineacetamide, 4-hydroxy-N-[3-(4-morpholinylsulfonyl)phenyl]-4-pentyl-3-phenoxy-, (3S,4S)- [ACD/Index Name]
2-[(3S,4S)-4-Hydroxy-4-pentyl-3-phenoxy-1-piperidinyl]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-[(3S,4S)-4-Hydroxy-4-pentyl-3-phenoxy-1-piperidinyl]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
2-[(3S,4S)-4-Hydroxy-4-pentyl-3-phénoxy-1-pipéridinyl]-N-[3-(4-morpholinylsulfonyl)phényl]acétamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 143.72
ACD/KOC (pH 5.5): 835.73
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.88
ACD/KOC (pH 7.4): 3046.39
Polar Surface Area: 117 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 434.4±3.0 cm3

Click to predict properties on the Chemicalize site


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