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ChemSpider 2D Image | 1-{[1-(2-Methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-4-(1,3-thiazol-4-ylmethyl)piperazine | C14H23N7S


  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID64255558

More details:

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

1-{[1-(2-Methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-4-(1,3-thiazol-4-ylmethyl)piperazin [German] [ACD/IUPAC Name]
1-{[1-(2-Methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-4-(1,3-thiazol-4-ylmethyl)piperazine [ACD/IUPAC Name]
1-{[1-(2-Méthyl-2-propanyl)-1H-tétrazol-5-yl]méthyl}-4-(1,3-thiazol-4-ylméthyl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl]methyl]-4-(4-thiazolylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 506.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.2±28.7 °C
Index of Refraction: 1.682
Molar Refractivity: 91.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.71
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 36.47
Polar Surface Area: 91 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 241.0±7.0 cm3

Click to predict properties on the Chemicalize site