ChemSpider 2D Image | PF-4778574 | C19H22N2O3S2

PF-4778574

  • Molecular FormulaC19H22N2O3S2
  • Average mass390.520 Da
  • Monoisotopic mass390.107178 Da
  • ChemSpider ID28189709

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Propanesulfonamide, N-[(3R,4S)-3-[4-(5-cyano-2-thienyl)phenyl]tetrahydro-2H-pyran-4-yl]- [ACD/Index Name]
N-{(3R,4S)-3-[4-(5-Cyan-2-thienyl)phenyl]tetrahydro-2H-pyran-4-yl}-2-propansulfonamid [German] [ACD/IUPAC Name]
N-{(3R,4S)-3-[4-(5-Cyano-2-thienyl)phenyl]tetrahydro-2H-pyran-4-yl}-2-propanesulfonamide [ACD/IUPAC Name]
N-{(3R,4S)-3-[4-(5-Cyano-2-thiényl)phényl]tétrahydro-2H-pyran-4-yl}-2-propanesulfonamide [French] [ACD/IUPAC Name]
PF-4778574
[1219633-99-4] [RN]
1219633-99-4 [RN]
2-Propanesulfonamide, N-((3R,4S)-3-(4-(5-cyano-2-thienyl)phenyl)tetrahydro-2H-pyran-4-yl)-
MFCD20527887
N-((3R,4S)-3-(4-(5-cyanothiophen-2-yl)phenyl)tetrahydro-2H-pyran-4-yl)propane-2-sulfonamide
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4900

    • Bio Activity:

      Glutamate (Ionotropic) Receptors Tocris Bioscience 4900
      Ion Channels Tocris Bioscience 4900
      Ligand-gated Ion Channels Tocris Bioscience 4900
      Positive allosteric modulator of AMPA receptors Tocris Bioscience 4900
      Positive allosteric modulator of AMPA receptors (Ki = 85 nM). Prevents ketamine-induced working memory impairments. Brain penetrant. Tocris Bioscience 4900

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.3±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.18
ACD/KOC (pH 5.5): 1643.32
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.94
ACD/KOC (pH 7.4): 1641.56
Polar Surface Area: 116 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 296.3±5.0 cm3

Click to predict properties on the Chemicalize site


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