ChemSpider 2D Image | PKI-179 | C25H28N8O3

PKI-179

  • Molecular FormulaC25H28N8O3
  • Average mass488.542 Da
  • Monoisotopic mass488.228424 Da
  • ChemSpider ID32699311

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(4-{4-(4-Morpholinyl)-6-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]oct-8-yl]-1,3,5-triazin-2-yl}phenyl)-3-(4-pyridinyl)harnstoff [German] [ACD/IUPAC Name]
1-(4-{4-(4-Morpholinyl)-6-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]oct-8-yl]-1,3,5-triazin-2-yl}phenyl)-3-(4-pyridinyl)urea [ACD/IUPAC Name]
1-(4-{4-(4-Morpholinyl)-6-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]oct-8-yl]-1,3,5-triazin-2-yl}phényl)-3-(4-pyridinyl)urée [French] [ACD/IUPAC Name]
1197160-28-3 [RN]
CNN7Y60164
PKI-179
Urea, N-[4-[4-(4-morpholinyl)-6-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]oct-8-yl]-1,3,5-triazin-2-yl]phenyl]-N'-4-pyridinyl- [ACD/Index Name]
UNII:CNN7Y60164
UNII-CNN7Y60164

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: 1.681
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.57
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 102.48
Polar Surface Area: 118 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 74.4±3.0 dyne/cm
Molar Volume: 351.2±3.0 cm3

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