ChemSpider 2D Image | 1-Ethyl-3-{4-[6-ethyl-8,8-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-5-oxo-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-yl]-2-fluorophenyl}urea | C26H33FN6O4

1-Ethyl-3-{4-[6-ethyl-8,8-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-5-oxo-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-yl]-2-fluorophenyl}urea

  • Molecular FormulaC26H33FN6O4
  • Average mass512.576 Da
  • Monoisotopic mass512.254761 Da
  • ChemSpider ID76733124

More details:

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

1-Ethyl-3-{4-[6-ethyl-8,8-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-5-oxo-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-yl]-2-fluorophenyl}urea [ACD/IUPAC Name]
1-Éthyl-3-{4-[6-éthyl-8,8-diméthyl-2-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-5-oxo-5,6,7,8-tétrahydropyrimido[5,4-f][1,4]oxazépin-4-yl]-2-fluorophényl}urée [French] [ACD/IUPAC Name]
1-Ethyl-3-{4-[6-ethyl-8,8-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-5-oxo-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-yl]-2-fluorphenyl}harnstoff [German] [ACD/IUPAC Name]
Urea, N-ethyl-N'-[4-[6-ethyl-5,6,7,8-tetrahydro-8,8-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-5-oxopyrimido[5,4-f][1,4]oxazepin-4-yl]-2-fluorophenyl]- [ACD/Index Name]

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: 1.584
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.91
ACD/KOC (pH 5.5): 1070.56
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.94
ACD/KOC (pH 7.4): 1070.88
Polar Surface Area: 109 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 402.7±3.0 cm3

Click to predict properties on the Chemicalize site


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