ChemSpider 2D Image | 1-(4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-1,3,5-triazin-2-yl}phenyl)-3-(3-pyridinyl)urea | C25H28N8O3

1-(4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-1,3,5-triazin-2-yl}phenyl)-3-(3-pyridinyl)urea

  • Molecular FormulaC25H28N8O3
  • Average mass488.542 Da
  • Monoisotopic mass488.228424 Da
  • ChemSpider ID24668844

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-1,3,5-triazin-2-yl}phenyl)-3-(3-pyridinyl)harnstoff [German] [ACD/IUPAC Name]
1-(4-{4-[(3R)-3-Methyl-4-morpholinyl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-1,3,5-triazin-2-yl}phenyl)-3-(3-pyridinyl)urea [ACD/IUPAC Name]
1-(4-{4-[(3R)-3-Méthyl-4-morpholinyl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-1,3,5-triazin-2-yl}phényl)-3-(3-pyridinyl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-[4-[(3R)-3-methyl-4-morpholinyl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl]-1,3,5-triazin-2-yl]phenyl]-N'-3-pyridinyl- [ACD/Index Name]
1-(4-(4-((1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 133.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.37
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.51
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 81.26
Polar Surface Area: 118 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 353.4±3.0 cm3

Click to predict properties on the Chemicalize site


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