ChemSpider 2D Image | N-[4-(Dimethylsulfamoyl)phenyl]-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide | C27H31N3O3S2

N-[4-(Dimethylsulfamoyl)phenyl]-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID28467543

More details:

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

1-Piperidinecarbothioamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-4-(hydroxydiphenylmethyl)- [ACD/Index Name]
N-[4-(Dimethylsulfamoyl)phenyl]-4-[hydroxy(diphenyl)methyl]-1-piperidincarbothioamid [German] [ACD/IUPAC Name]
N-[4-(Dimethylsulfamoyl)phenyl]-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide [ACD/IUPAC Name]
N-[4-(Diméthylsulfamoyl)phényl]-4-[hydroxy(diphényl)méthyl]-1-pipéridinecarbothioamide [French] [ACD/IUPAC Name]
[1383478-94-1] [RN]
1383478-94-1 [RN]
CYM 9484
N-[4-(dimethylsulfamoyl)phenyl]-4-(hydroxydiphenylmethyl)piperidine-1-carbothioamide
N-[4-(dimethylsulfamoyl)phenyl]-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
n-[4-[(dimethylamino)sulfonyl]phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinecarbothioamide

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

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

    • Safety:

      Sold under license from The Scripps Research Institute Tocris Bioscience 4606

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4606
      NPY Receptors Tocris Bioscience 4606
      Peptide Receptors Tocris Bioscience 4606
      Potent neuropeptide Y (NPY) Y2 receptor antagonist (IC50 = 19 nM). Tocris Bioscience 4606
      Potent NPY Y2 receptor antagonist Tocris Bioscience 4606

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 354.4±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 992.28
ACD/KOC (pH 5.5): 4859.48
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 992.27
ACD/KOC (pH 7.4): 4859.43
Polar Surface Area: 113 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 389.3±3.0 cm3

Click to predict properties on the Chemicalize site


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