ChemSpider 2D Image | AZ12216052 | C19H22BrNOS

AZ12216052

  • Molecular FormulaC19H22BrNOS
  • Average mass392.353 Da
  • Monoisotopic mass391.060547 Da
  • ChemSpider ID29342334

More details:

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

1290628-31-7 [RN]
2-[(4-Brombenzyl)sulfanyl]-N-(4-sec-butylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(4-Bromobenzyl)sulfanyl]-N-(4-sec-butylphenyl)acetamide [ACD/IUPAC Name]
2-[(4-Bromobenzyl)sulfanyl]-N-(4-sec-butylphényl)acétamide [French] [ACD/IUPAC Name]
2-[[(4-Bromophenyl)methyl]thio]-N-[4-(1-methylpropyl)phenyl]-acetamide
Acetamide, 2-[[(4-bromophenyl)methyl]thio]-N-[4-(1-methylpropyl)phenyl]- [ACD/Index Name]
AZ 12216052
AZ12216052
MFCD20926426
[1290628-31-7] [RN]
More...

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

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4832
      Glutamate (Metabotropic) Group III Receptors Tocris Bioscience 4832
      Glutamate (Metabotropic) Receptors Tocris Bioscience 4832
      Positive allosteric modulator at mGlu8 Tocris Bioscience 4832
      Positive allosteric modulator at mGlu8 receptors. Exhibits anxiolytic effects in mouse models of anxiety. Tocris Bioscience 4832

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.5±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12122.33
ACD/KOC (pH 5.5): 29148.47
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12122.67
ACD/KOC (pH 7.4): 29149.27
Polar Surface Area: 54 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 296.5±3.0 cm3

Click to predict properties on the Chemicalize site


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