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Search term: KGUYOFKQHDMARG-OJBMAJLDSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | trans-2-[4-(4-Fluorophenyl)-5-{2-[(3-methoxypropyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide | C26H33FN6O4

trans-2-[4-(4-Fluorophenyl)-5-{2-[(3-methoxypropyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide

  • Molecular FormulaC26H33FN6O4
  • Average mass512.576 Da
  • Monoisotopic mass512.254761 Da
  • ChemSpider ID23161078
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,3-Dioxane-5-carboxamide, 2-[4-(4-fluorophenyl)-5-[2-[(3-methoxypropyl)amino]-4-pyrimidinyl]-1H-imidazol-2-yl]-5-methyl-N-propyl-, trans- [ACD/Index Name]
trans-2-[4-(4-Fluorophenyl)-5-{2-[(3-methoxypropyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide [ACD/IUPAC Name]
trans-2-[4-(4-Fluorophényl)-5-{2-[(3-méthoxypropyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-méthyl-N-propyl-1,3-dioxane-5-carboxamide [French] [ACD/IUPAC Name]
trans-2-[4-(4-fluorophenyl)-5-{2-[(3-methoxypropyl)amino]pyrimidin-4-yl}-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxane-5-carboxamide
trans-2-[4-(4-Fluorphenyl)-5-{2-[(3-methoxypropyl)amino]-4-pyrimidinyl}-1H-imidazol-2-yl]-5-methyl-N-propyl-1,3-dioxan-5-carboxamid [German] [ACD/IUPAC Name]
2-{4-(4-Fluoro-phenyl)-5-[2-(3-methoxy-propylamino)-pyrimidin-4-yl]-1H-imidazol-2-yl}-5-methyl-[1,3]dioxane-5-carboxylic acid propylamide(RPR239939)

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.36
ACD/KOC (pH 5.5): 938.92
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.69
ACD/KOC (pH 7.4): 951.30
Polar Surface Area: 123 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

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