ChemSpider 2D Image | 8-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-1-[(2-oxo-1-pyrrolidinyl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one | C24H32N6O5S

8-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-1-[(2-oxo-1-pyrrolidinyl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one

  • Molecular FormulaC24H32N6O5S
  • Average mass516.613 Da
  • Monoisotopic mass516.215515 Da
  • ChemSpider ID53592882

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]-1-[2-(2-oxo-1-pyrrolidinyl)acetyl]-7-phenyl- [ACD/Index Name]
8-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-1-[(2-oxo-1-pyrrolidinyl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-on [German] [ACD/IUPAC Name]
8-[(1-Methyl-1H-imidazol-4-yl)sulfonyl]-1-[(2-oxo-1-pyrrolidinyl)acetyl]-7-phenyl-1,4,8-triazacycloundecan-5-one [ACD/IUPAC Name]
8-[(1-Méthyl-1H-imidazol-4-yl)sulfonyl]-1-[2-(2-oxo-1-pyrrolidinyl)acétyl]-7-phényl-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: 1.667
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.62
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.69
Polar Surface Area: 133 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 368.2±7.0 cm3

Click to predict properties on the Chemicalize site


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