ChemSpider 2D Image | N,N-Diethyl-3-(4-{[4-(4-hydroxyphenyl)-1-piperazinyl]methyl}-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)benzenesulfonamide | C23H29N5O4S2

N,N-Diethyl-3-(4-{[4-(4-hydroxyphenyl)-1-piperazinyl]methyl}-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)benzenesulfonamide

  • Molecular FormulaC23H29N5O4S2
  • Average mass503.638 Da
  • Monoisotopic mass503.166107 Da
  • ChemSpider ID3303754

More details:

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

Benzenesulfonamide, 3-[4,5-dihydro-4-[[4-(4-hydroxyphenyl)-1-piperazinyl]methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]-N,N-diethyl- [ACD/Index Name]
N,N-Diethyl-3-(4-{[4-(4-hydroxyphenyl)-1-piperazinyl]methyl}-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)benzenesulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-3-(4-{[4-(4-hydroxyphényl)-1-pipérazinyl]méthyl}-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
N,N-Diethyl-3-(4-{[4-(4-hydroxyphenyl)-1-piperazinyl]methyl}-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 664.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 355.5±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 9.06
ACD/KOC (pH 5.5): 104.56
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 45.89
ACD/KOC (pH 7.4): 529.63
Polar Surface Area: 129 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 367.3±7.0 cm3

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