ChemSpider 2D Image | 4-Methyl-1-[5-{[5-(5-phenyl-2H-tetrazol-2-yl)pentyl]sulfanyl}-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]piperidine | C25H36N8OS

4-Methyl-1-[5-{[5-(5-phenyl-2H-tetrazol-2-yl)pentyl]sulfanyl}-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]piperidine

  • Molecular FormulaC25H36N8OS
  • Average mass496.671 Da
  • Monoisotopic mass496.273285 Da
  • ChemSpider ID115073396

More details:

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

4-Methyl-1-[5-{[5-(5-phenyl-2H-tetrazol-2-yl)pentyl]sulfanyl}-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]piperidin [German] [ACD/IUPAC Name]
4-Methyl-1-[5-{[5-(5-phenyl-2H-tetrazol-2-yl)pentyl]sulfanyl}-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]piperidine [ACD/IUPAC Name]
4-Méthyl-1-[5-{[5-(5-phényl-2H-tétrazol-2-yl)pentyl]sulfanyl}-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 4-methyl-1-[5-[[5-(5-phenyl-2H-tetrazol-2-yl)pentyl]thio]-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.7±35.7 °C
Index of Refraction: 1.693
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 506.23
ACD/KOC (pH 5.5): 2831.20
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 620.14
ACD/KOC (pH 7.4): 3468.24
Polar Surface Area: 112 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 368.0±7.0 cm3

Click to predict properties on the Chemicalize site


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