ChemSpider 2D Image | 1-(3-Chlorophenyl)-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine | C19H19ClN8S

1-(3-Chlorophenyl)-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC19H19ClN8S
  • Average mass426.926 Da
  • Monoisotopic mass426.114197 Da
  • ChemSpider ID67817248

More details:

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

1-(3-Chlorophenyl)-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
1-(3-Chlorophényl)-4-[4-(5-éthyl-1,3,4-thiadiazol-2-yl)-1-pipérazinyl]-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1-(3-Chlorphenyl)-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine, 1-(3-chlorophenyl)-4-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 594.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.1±32.9 °C
Index of Refraction: 1.794
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 41.52
ACD/KOC (pH 5.5): 418.39
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.57
ACD/KOC (pH 7.4): 781.59
Polar Surface Area: 104 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 274.6±7.0 cm3

Click to predict properties on the Chemicalize site


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