ChemSpider 2D Image | 1-[4-(4-Methoxyphenyl)-1-piperazinyl]-2-{[2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}ethanone | C28H28N4O4S2

1-[4-(4-Methoxyphenyl)-1-piperazinyl]-2-{[2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}ethanone

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID20321546

More details:

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

1-[4-(4-Methoxyphenyl)-1-piperazinyl]-2-{[2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}ethanon [German] [ACD/IUPAC Name]
1-[4-(4-Methoxyphenyl)-1-piperazinyl]-2-{[2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}ethanone [ACD/IUPAC Name]
1-[4-(4-Méthoxyphényl)-1-pipérazinyl]-2-{[2-phényl-4-(phénylsulfonyl)-1H-imidazol-5-yl]sulfanyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[[2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl]thio]- [ACD/Index Name]
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-{[2-phenyl-4-(phenylsulfonyl)-1H-imidazol-5-yl]sulfanyl}ethanone
2-(5-Benzenesulfonyl-2-phenyl-3H-imidazol-4-ylsulfanyl)-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 839.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 461.2±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 424.83
ACD/KOC (pH 5.5): 2634.63
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 309.56
ACD/KOC (pH 7.4): 1919.75
Polar Surface Area: 129 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 383.4±5.0 cm3

Click to predict properties on the Chemicalize site


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