ChemSpider 2D Image | 9-{[4-(4-Methoxyphenyl)-1-piperazinyl]carbonyl}-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundecan-2-one | C25H36N6O5S

9-{[4-(4-Methoxyphenyl)-1-piperazinyl]carbonyl}-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundecan-2-one

  • Molecular FormulaC25H36N6O5S
  • Average mass532.656 Da
  • Monoisotopic mass532.246765 Da
  • ChemSpider ID53586680

More details:

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

1,5-Diazacycloundecan-2-one, 9-[[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl]-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]- [ACD/Index Name]
9-{[4-(4-Methoxyphenyl)-1-piperazinyl]carbonyl}-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundecan-2-on [German] [ACD/IUPAC Name]
9-{[4-(4-Methoxyphenyl)-1-piperazinyl]carbonyl}-5-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundecan-2-one [ACD/IUPAC Name]
9-{[4-(4-Méthoxyphényl)-1-pipérazinyl]carbonyl}-5-[(1-méthyl-1H-imidazol-4-yl)sulfonyl]-1,5-diazacycloundécan-2-one [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.00
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 53.58
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 55.05
Polar Surface Area: 125 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 392.6±7.0 cm3

Click to predict properties on the Chemicalize site


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