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Search term: HCCPSOBZLRHGQN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-(4-Methylpiperazin-1-Yl)-N-[(1r,3s)-5-Oxidanyl-2-Adamantyl]-2-Propylsulfanyl-Pyridine-3-Carboxamide | C24H36N4O2S

6-(4-Methylpiperazin-1-Yl)-N-[(1r,3s)-5-Oxidanyl-2-Adamantyl]-2-Propylsulfanyl-Pyridine-3-Carboxamide

  • Molecular FormulaC24H36N4O2S
  • Average mass444.633 Da
  • Monoisotopic mass444.255890 Da
  • ChemSpider ID35036026

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Pyridinecarboxamide, N-[(1R,3S)-5-hydroxytricyclo[3.3.1.13,7]dec-2-yl]-6-(4-methyl-1-piperazinyl)-2-(propylthio)- [ACD/Index Name]
6-(4-Methylpiperazin-1-Yl)-N-[(1r,3s)-5-Oxidanyl-2-Adamantyl]-2-Propylsulfanyl-Pyridine-3-Carboxamide
N-[(1R,2s,3S,5s,7s)-5-Hydroxyadamantan-2-yl]-6-(4-methyl-1-piperazinyl)-2-(propylsulfanyl)nicotinamid [German] [ACD/IUPAC Name]
N-[(1R,2s,3S,5s,7s)-5-Hydroxyadamantan-2-yl]-6-(4-methyl-1-piperazinyl)-2-(propylsulfanyl)nicotinamide [ACD/IUPAC Name]
N-[(1R,2s,3S,5s,7s)-5-Hydroxyadamantan-2-yl]-6-(4-méthyl-1-pipérazinyl)-2-(propylsulfanyl)nicotinamide [French] [ACD/IUPAC Name]
HD1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.4±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 3.38
ACD/KOC (pH 5.5): 31.47
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 74.90
ACD/KOC (pH 7.4): 698.38
Polar Surface Area: 94 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 348.2±5.0 cm3

Click to predict properties on the Chemicalize site


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