ChemSpider 2D Image | 1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-4-[(1-isopropyl-1H-1,2,4-triazol-5-yl)methyl]piperazine | C14H23N7S

1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-4-[(1-isopropyl-1H-1,2,4-triazol-5-yl)methyl]piperazine

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID63746777

More details:






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

1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-4-[(1-isopropyl-1H-1,2,4-triazol-5-yl)methyl]piperazin [German] [ACD/IUPAC Name]
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-4-[(1-isopropyl-1H-1,2,4-triazol-5-yl)methyl]piperazine [ACD/IUPAC Name]
1-(3-Éthyl-1,2,4-thiadiazol-5-yl)-4-[(1-isopropyl-1H-1,2,4-triazol-5-yl)méthyl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-[[1-(1-methylethyl)-1H-1,2,4-triazol-5-yl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 503.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.3±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.37
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.67
ACD/KOC (pH 7.4): 103.52
Polar Surface Area: 91 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 235.6±7.0 cm3

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