ChemSpider 2D Image | 5-Bromo-N-{[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]methyl}nicotinamide | C17H24BrN3OS

5-Bromo-N-{[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]methyl}nicotinamide

  • Molecular FormulaC17H24BrN3OS
  • Average mass398.361 Da
  • Monoisotopic mass397.082336 Da
  • ChemSpider ID35011306

More details:

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

3-Pyridinecarboxamide, 5-bromo-N-[[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]methyl]- [ACD/Index Name]
5-Brom-N-{[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]methyl}nicotinamid [German] [ACD/IUPAC Name]
5-Bromo-N-{[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]methyl}nicotinamide [ACD/IUPAC Name]
5-Bromo-N-{[1-(tétrahydro-2H-thiopyrane-4-yl)-4-pipéridinyl]méthyl}nicotinamide [French] [ACD/IUPAC Name]
2034523-79-8 [RN]
5-bromo-N-((1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl)methyl)nicotinamide
5-bromo-N-{[1-(thian-4-yl)piperidin-4-yl]methyl}pyridine-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 5.43
ACD/KOC (pH 7.4): 48.78
Polar Surface Area: 71 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

Click to predict properties on the Chemicalize site


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