ChemSpider 2D Image | {4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}{1-[(4-methyl-1-piperidinyl)sulfonyl]-4-piperidinyl}methanone | C22H38N6O3S

{4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}{1-[(4-methyl-1-piperidinyl)sulfonyl]-4-piperidinyl}methanone

  • Molecular FormulaC22H38N6O3S
  • Average mass466.641 Da
  • Monoisotopic mass466.272614 Da
  • ChemSpider ID65235772

More details:

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

{4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}{1-[(4-methyl-1-piperidinyl)sulfonyl]-4-piperidinyl}methanon [German] [ACD/IUPAC Name]
{4-[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl}{1-[(4-methyl-1-piperidinyl)sulfonyl]-4-piperidinyl}methanone [ACD/IUPAC Name]
{4-[(4-Éthyl-4H-1,2,4-triazol-3-yl)méthyl]-1-pipéridinyl}{1-[(4-méthyl-1-pipéridinyl)sulfonyl]-4-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-piperidinyl][1-[(4-methyl-1-piperidinyl)sulfonyl]-4-piperidinyl]- [ACD/Index Name]
{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}{1-[(4-methylpiperidino)sulfonyl]-4-piperidyl}methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.5±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 125.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 70.67
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 71.41
Polar Surface Area: 100 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 340.8±7.0 cm3

Click to predict properties on the Chemicalize site


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