ChemSpider 2D Image | 4-[4-({4-[(5R)-3-Cyclohexyl-2-oxo-5-phenyl-1-imidazolidinyl]-1-piperidinyl}methyl)phenoxy]benzoic acid | C34H39N3O4

4-[4-({4-[(5R)-3-Cyclohexyl-2-oxo-5-phenyl-1-imidazolidinyl]-1-piperidinyl}methyl)phenoxy]benzoic acid

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID30833673

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[4-({4-[(5R)-3-Cyclohexyl-2-oxo-5-phenyl-1-imidazolidinyl]-1-piperidinyl}methyl)phenoxy]benzoesäure [German] [ACD/IUPAC Name]
4-[4-({4-[(5R)-3-Cyclohexyl-2-oxo-5-phenyl-1-imidazolidinyl]-1-piperidinyl}methyl)phenoxy]benzoic acid [ACD/IUPAC Name]
Acide 4-[4-({4-[(5R)-3-cyclohexyl-2-oxo-5-phényl-1-imidazolidinyl]-1-pipéridinyl}méthyl)phénoxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenyl-1-imidazolidinyl]-1-piperidinyl]methyl]phenoxy]- [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: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 82.92
ACD/KOC (pH 5.5): 160.72
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 74.52
ACD/KOC (pH 7.4): 144.44
Polar Surface Area: 73 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 444.2±3.0 cm3

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