ChemSpider 2D Image | 3-[(4-Benzyl-1-piperazinyl)sulfonyl]-N-methyl-N-[4-(methylsulfanyl)benzyl]benzamide | C27H31N3O3S2

3-[(4-Benzyl-1-piperazinyl)sulfonyl]-N-methyl-N-[4-(methylsulfanyl)benzyl]benzamide

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID22417701

More details:

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

3-[(4-Benzyl-1-piperazinyl)sulfonyl]-N-methyl-N-[4-(methylsulfanyl)benzyl]benzamid [German] [ACD/IUPAC Name]
3-[(4-Benzyl-1-piperazinyl)sulfonyl]-N-methyl-N-[4-(methylsulfanyl)benzyl]benzamide [ACD/IUPAC Name]
3-[(4-Benzyl-1-pipérazinyl)sulfonyl]-N-méthyl-N-[4-(méthylsulfanyl)benzyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]- [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: 698.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.4±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 328.76
ACD/KOC (pH 5.5): 1948.90
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 503.27
ACD/KOC (pH 7.4): 2983.43
Polar Surface Area: 95 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 385.2±5.0 cm3

Click to predict properties on the Chemicalize site


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