ChemSpider 2D Image | 1-{[1-Benzyl-2-(benzylsulfonyl)-1H-imidazol-5-yl]methyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea | C29H39N5O4S

1-{[1-Benzyl-2-(benzylsulfonyl)-1H-imidazol-5-yl]methyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea

  • Molecular FormulaC29H39N5O4S
  • Average mass553.716 Da
  • Monoisotopic mass553.272278 Da
  • ChemSpider ID22609035

More details:

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

1-{[1-Benzyl-2-(benzylsulfonyl)-1H-imidazol-5-yl]methyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-{[1-Benzyl-2-(benzylsulfonyl)-1H-imidazol-5-yl]methyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea [ACD/IUPAC Name]
1-{[1-Benzyl-2-(benzylsulfonyl)-1H-imidazol-5-yl]méthyl}-3-(2-méthyl-2-propanyl)-1-[2-(4-morpholinyl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N'-(1,1-dimethylethyl)-N-[2-(4-morpholinyl)ethyl]-N-[[1-(phenylmethyl)-2-[(phenylmethyl)sulfonyl]-1H-imidazol-5-yl]methyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 156.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 19.93
ACD/KOC (pH 5.5): 145.25
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 214.13
ACD/KOC (pH 7.4): 1560.90
Polar Surface Area: 105 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 453.3±7.0 cm3

Click to predict properties on the Chemicalize site


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