ChemSpider 2D Image | 1-[(1R,3S)-3-{[(4R)-4-(2-Cyclohexylethyl)-2-imino-1-methyl-5-oxo-4-imidazolidinyl]methyl}cyclohexyl]-3-phenylurea | C26H39N5O2

1-[(1R,3S)-3-{[(4R)-4-(2-Cyclohexylethyl)-2-imino-1-methyl-5-oxo-4-imidazolidinyl]methyl}cyclohexyl]-3-phenylurea

  • Molecular FormulaC26H39N5O2
  • Average mass453.620 Da
  • Monoisotopic mass453.310364 Da
  • ChemSpider ID35035600

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(1r,3s)-3-{[(2e,4r)-4-(2-Cyclohexylethyl)-2-Imino-1-Methyl-5-Oxoimidazolidin-4-Yl]methyl}cyclohexyl]-3-Phenylurea
1-[(1R,3S)-3-{[(4R)-4-(2-Cyclohexylethyl)-2-imino-1-methyl-5-oxo-4-imidazolidinyl]methyl}cyclohexyl]-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-[(1R,3S)-3-{[(4R)-4-(2-Cyclohexylethyl)-2-imino-1-methyl-5-oxo-4-imidazolidinyl]methyl}cyclohexyl]-3-phenylurea [ACD/IUPAC Name]
1-[(1R,3S)-3-{[(4R)-4-(2-Cyclohexyléthyl)-2-imino-1-méthyl-5-oxo-4-imidazolidinyl]méthyl}cyclohexyl]-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-[(1R,3S)-3-[[(4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxo-4-imidazolidinyl]methyl]cyclohexyl]-N'-phenyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 129.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 557.94
ACD/KOC (pH 5.5): 2805.99
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 896.57
ACD/KOC (pH 7.4): 4509.04
Polar Surface Area: 97 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 357.5±7.0 cm3

Click to predict properties on the Chemicalize site


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