ChemSpider 2D Image | 5-{[3-(4-Phenyl-1-piperazinyl)-1-piperidinyl]methyl}-2,1,3-benzothiadiazole | C22H27N5S

5-{[3-(4-Phenyl-1-piperazinyl)-1-piperidinyl]methyl}-2,1,3-benzothiadiazole

  • Molecular FormulaC22H27N5S
  • Average mass393.548 Da
  • Monoisotopic mass393.198730 Da
  • ChemSpider ID22140757

More details:

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

2,1,3-Benzothiadiazole, 5-[[3-(4-phenyl-1-piperazinyl)-1-piperidinyl]methyl]- [ACD/Index Name]
5-{[3-(4-Phenyl-1-piperazinyl)-1-piperidinyl]methyl}-2,1,3-benzothiadiazol [German] [ACD/IUPAC Name]
5-{[3-(4-Phenyl-1-piperazinyl)-1-piperidinyl]methyl}-2,1,3-benzothiadiazole [ACD/IUPAC Name]
5-{[3-(4-Phényl-1-pipérazinyl)-1-pipéridinyl]méthyl}-2,1,3-benzothiadiazole [French] [ACD/IUPAC 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: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 8.57
ACD/KOC (pH 7.4): 69.26
Polar Surface Area: 64 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site


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