ChemSpider 2D Image | 8-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-7-phenyl-1-(tetrahydro-2H-pyran-4-ylcarbonyl)-1,4,8-triazacycloundecan-5-one | C24H33N5O5S

8-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-7-phenyl-1-(tetrahydro-2H-pyran-4-ylcarbonyl)-1,4,8-triazacycloundecan-5-one

  • Molecular FormulaC24H33N5O5S
  • Average mass503.614 Da
  • Monoisotopic mass503.220245 Da
  • ChemSpider ID53590472

More details:

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

1,4,8-Triazacycloundecan-5-one, 8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-7-phenyl-1-[(tetrahydro-2H-pyran-4-yl)carbonyl]- [ACD/Index Name]
8-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-7-phenyl-1-(tetrahydro-2H-pyran-4-ylcarbonyl)-1,4,8-triazacycloundecan-5-on [German] [ACD/IUPAC Name]
8-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-7-phenyl-1-(tetrahydro-2H-pyran-4-ylcarbonyl)-1,4,8-triazacycloundecan-5-one [ACD/IUPAC Name]
8-[(1-Méthyl-1H-imidazol-4-yl)sulfonyl]-7-phényl-1-(tétrahydro-2H-pyran-4-ylcarbonyl)-1,4,8-triazacycloundécan-5-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: 1.649
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.79
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 60.46
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 60.68
Polar Surface Area: 122 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 366.7±7.0 cm3

Click to predict properties on the Chemicalize site


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