ChemSpider 2D Image | ACT-462206 | C20H24N2O4S

ACT-462206

  • Molecular FormulaC20H24N2O4S
  • Average mass388.481 Da
  • Monoisotopic mass388.145691 Da
  • ChemSpider ID34500438

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-(3,5-Dimethylphenyl)-1-[(4-methoxyphenyl)sulfonyl]-2-pyrrolidinecarboxamide
1361321-96-1 [RN]
2-Pyrrolidinecarboxamide, N-(3,5-dimethylphenyl)-1-[(4-methoxyphenyl)sulfonyl]-, (2S)- [ACD/Index Name]
ACT-462206
MFCD28502270
N-(3,5-Dimethylphenyl)-1-[(4-methoxyphenyl)sulfonyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(3,5-Dimethylphenyl)-1-[(4-methoxyphenyl)sulfonyl]-L-prolinamide [ACD/IUPAC Name]
N-(3,5-Diméthylphényl)-1-[(4-méthoxyphényl)sulfonyl]-L-prolinamide [French] [ACD/IUPAC Name]
(2S)-N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
[1361321-96-1] [RN]
More...

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

64ONO62P28 [DBID]
CCRIS 4693 [DBID]
UNII:64ONO62P28 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5319
      Orexin Receptors Tocris Bioscience 5319
      Peptide Receptors Tocris Bioscience 5319
      Potent, dual orexin receptor antagonist Tocris Bioscience 5319
      Potent, dual orexin receptor antagonist (IC50 values are 11 and 60 nM for OX2 and OX1 receptors respectively). Exhibits anxiolytic-like properties in vivo. Brain penetrant. Tocris Bioscience 5319

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: 1.609
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 379.40
ACD/KOC (pH 5.5): 2441.87
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 379.41
ACD/KOC (pH 7.4): 2441.91
Polar Surface Area: 84 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 302.2±3.0 cm3

Click to predict properties on the Chemicalize site


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