ChemSpider 2D Image | {trans-2-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-morpholinyl)methanone | C24H25FN4O4

{trans-2-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-morpholinyl)methanone

  • Molecular FormulaC24H25FN4O4
  • Average mass452.478 Da
  • Monoisotopic mass452.185974 Da
  • ChemSpider ID23161138
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{trans-2-[4-(4-Fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-morpholinyl)methanone [ACD/IUPAC Name]
{trans-2-[4-(4-Fluorophényl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-5-méthyl-1,3-dioxan-5-yl}(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
{trans-2-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(morpholin-4-yl)methanone
{trans-2-[4-(4-Fluorphenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [trans-2-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-4-morpholinyl- [ACD/Index Name]
{2-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-[1,3]dioxan-5-yl}-morpholin-4-yl-methanone(RPR200765)
218158-45-3 [RN]
RPR-200765A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.6±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 33.28
ACD/KOC (pH 5.5): 410.01
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.53
ACD/KOC (pH 7.4): 474.75
Polar Surface Area: 90 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 346.6±3.0 cm3

Click to predict properties on the Chemicalize site






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