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

1-[3-(2-Methyl-2-propanyl)-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 ID64490482

More details:

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

1-[3-(2-Methyl-2-propanyl)-1,2,4-thiadiazol-5-yl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin [German] [ACD/IUPAC Name]
1-[3-(2-Methyl-2-propanyl)-1,2,4-thiadiazol-5-yl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine [ACD/IUPAC Name]
1-[3-(2-Méthyl-2-propanyl)-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-(1,1-dimethylethyl)-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, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 519.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 268.1±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 32.34
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.65
ACD/KOC (pH 7.4): 119.04
Polar Surface Area: 102 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 254.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement