ChemSpider 2D Image | 3,3-Dimethyl-1-(4-{[7-(methylsulfonyl)-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}-1-piperazinyl)-1-butanone | C27H32N4O3S2

3,3-Dimethyl-1-(4-{[7-(methylsulfonyl)-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}-1-piperazinyl)-1-butanone

  • Molecular FormulaC27H32N4O3S2
  • Average mass524.698 Da
  • Monoisotopic mass524.191589 Da
  • ChemSpider ID21544699

More details:

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

1-Butanone, 3,3-dimethyl-1-[4-[[7-(methylsulfonyl)-2-phenylimidazo[2,1-b]benzothiazol-3-yl]methyl]-1-piperazinyl]- [ACD/Index Name]
3,3-Dimethyl-1-(4-{[7-(methylsulfonyl)-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}-1-piperazinyl)-1-butanon [German] [ACD/IUPAC Name]
3,3-Dimethyl-1-(4-{[7-(methylsulfonyl)-2-phenylimidazo[2,1-b][1,3]benzothiazol-3-yl]methyl}-1-piperazinyl)-1-butanone [ACD/IUPAC Name]
3,3-Diméthyl-1-(4-{[7-(méthylsulfonyl)-2-phénylimidazo[2,1-b][1,3]benzothiazol-3-yl]méthyl}-1-pipérazinyl)-1-butanone [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 136.18
ACD/KOC (pH 5.5): 968.67
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 263.68
ACD/KOC (pH 7.4): 1875.60
Polar Surface Area: 112 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 395.2±7.0 cm3

Click to predict properties on the Chemicalize site


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