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

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

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID64488854

More details:






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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.8±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 25.37
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.90
ACD/KOC (pH 7.4): 107.30
Polar Surface Area: 102 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 254.2±3.0 cm3

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