Found 1 result

Search term: BXSBCWWXRCJGDL-OJBMAJLDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | trans-2-[4-{2-[(Cyclopropylmethyl)amino]-4-pyrimidinyl}-5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-isopropyl-5-methyl-1,3-dioxane-5-carboxamide | C26H31FN6O3

trans-2-[4-{2-[(Cyclopropylmethyl)amino]-4-pyrimidinyl}-5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-isopropyl-5-methyl-1,3-dioxane-5-carboxamide

  • Molecular FormulaC26H31FN6O3
  • Average mass494.561 Da
  • Monoisotopic mass494.244171 Da
  • ChemSpider ID23161373

  • 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-[5-[2-[(cyclopropylmethyl)amino]-4-pyrimidinyl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-(1-methylethyl)-, trans- [ACD/Index Name]
trans-2-[4-{2-[(Cyclopropylmethyl)amino]-4-pyrimidinyl}-5-(4-fluorophenyl)-1H-imidazol-2-yl]-N-isopropyl-5-methyl-1,3-dioxane-5-carboxamide [ACD/IUPAC Name]
trans-2-[4-{2-[(Cyclopropylméthyl)amino]-4-pyrimidinyl}-5-(4-fluorophényl)-1H-imidazol-2-yl]-N-isopropyl-5-méthyl-1,3-dioxane-5-carboxamide [French] [ACD/IUPAC Name]
trans-2-[4-{2-[(Cyclopropylmethyl)amino]-4-pyrimidinyl}-5-(4-fluorphenyl)-1H-imidazol-2-yl]-N-isopropyl-5-methyl-1,3-dioxan-5-carboxamid [German] [ACD/IUPAC Name]
trans-2-[5-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-N-(propan-2-yl)-1,3-dioxane-5-carboxamide
2-[5-[2-(Cyclopropylmethyl-amino)-pyrimidin-4-yl]-4-(4-fluoro-phenyl)-1H-imidazol-2-yl]-5-methyl-[1,3]dioxane-5-carboxylic acid isopropylamide(RPR239497)

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: 1.600
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.22
ACD/KOC (pH 5.5): 1258.29
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.56
ACD/KOC (pH 7.4): 1277.74
Polar Surface Area: 114 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 386.1±3.0 cm3

Click to predict properties on the Chemicalize site


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