ChemSpider 2D Image | 3-(5-{[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)piperidine | C14H23N7S

3-(5-{[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)piperidine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID57640487

More details:






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

3-(5-{[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)piperidin [German] [ACD/IUPAC Name]
3-(5-{[(4-Isopropyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)piperidine [ACD/IUPAC Name]
3-(5-{[(4-Isopropyl-4H-1,2,4-triazol-3-yl)méthyl]sulfanyl}-4-méthyl-4H-1,2,4-triazol-3-yl)pipéridine [French] [ACD/IUPAC Name]
Piperidine, 3-[4-methyl-5-[[[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]methyl]thio]-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
3-(5-{[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)piperidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 555.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.4±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.32
Polar Surface Area: 99 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 229.5±7.0 cm3

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