ChemSpider 2D Image | 3,4-Dimethyl-N-[2-(3-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide | C31H34N4O2S

3,4-Dimethyl-N-[2-(3-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide

  • Molecular FormulaC31H34N4O2S
  • Average mass526.692 Da
  • Monoisotopic mass526.240234 Da
  • ChemSpider ID3576847

More details:

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

3,4-Dimethyl-N-[2-(3-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamid [German] [ACD/IUPAC Name]
3,4-Dimethyl-N-[2-(3-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide [ACD/IUPAC Name]
3,4-Diméthyl-N-[2-(3-{[2-oxo-2-(4-phényl-1-pipérazinyl)éthyl]sulfanyl}-1H-indol-1-yl)éthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4-dimethyl-N-[2-[3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1H-indol-1-yl]ethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.1±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 156.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2777.30
ACD/KOC (pH 5.5): 10140.02
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2788.49
ACD/KOC (pH 7.4): 10180.86
Polar Surface Area: 83 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 432.8±7.0 cm3

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