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

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

  • Molecular FormulaC29H39N5O4S
  • Average mass553.716 Da
  • Monoisotopic mass553.272278 Da
  • ChemSpider ID29266217

More details:

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

1-({1-Benzyl-2-[(4-methylbenzyl)sulfonyl]-1H-imidazol-5-yl}methyl)-3-isopropyl-1-[2-(4-morpholinyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-({1-Benzyl-2-[(4-methylbenzyl)sulfonyl]-1H-imidazol-5-yl}methyl)-3-isopropyl-1-[2-(4-morpholinyl)ethyl]urea [ACD/IUPAC Name]
1-({1-Benzyl-2-[(4-méthylbenzyl)sulfonyl]-1H-imidazol-5-yl}méthyl)-3-isopropyl-1-[2-(4-morpholinyl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N'-(1-methylethyl)-N-[[2-[[(4-methylphenyl)methyl]sulfonyl]-1-(phenylmethyl)-1H-imidazol-5-yl]methyl]-N-[2-(4-morpholinyl)ethyl]- [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: 1.611
Molar Refractivity: 155.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 17.03
ACD/KOC (pH 5.5): 132.62
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 171.55
ACD/KOC (pH 7.4): 1335.59
Polar Surface Area: 105 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 447.9±7.0 cm3

Click to predict properties on the Chemicalize site


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