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

1-Isopropyl-4-{1-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethyl]-1H-1,2,3-triazol-4-yl}piperidine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID29483584

More details:






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

1-Isopropyl-4-{1-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethyl]-1H-1,2,3-triazol-4-yl}piperidin [German] [ACD/IUPAC Name]
1-Isopropyl-4-{1-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethyl]-1H-1,2,3-triazol-4-yl}piperidine [ACD/IUPAC Name]
1-Isopropyl-4-{1-[2-(1H-1,2,4-triazol-3-ylsulfanyl)éthyl]-1H-1,2,3-triazol-4-yl}pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-(1-methylethyl)-4-[1-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
1-isopropyl-4-{1-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1H-1,2,3-triazol-4-yl}piperidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.0±32.9 °C
Index of Refraction: 1.710
Molar Refractivity: 90.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 230.4±7.0 cm3

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