ChemSpider 2D Image | 1-{2-Fluoro-4-[6,8,8-trimethyl-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]phenyl}-3-methylurea | C24H29FN6O4

1-{2-Fluoro-4-[6,8,8-trimethyl-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]phenyl}-3-methylurea

  • Molecular FormulaC24H29FN6O4
  • Average mass484.523 Da
  • Monoisotopic mass484.223419 Da
  • ChemSpider ID76735045

More details:

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

1-{2-Fluor-4-[6,8,8-trimethyl-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]phenyl}-3-methylharnstoff [German] [ACD/IUPAC Name]
1-{2-Fluoro-4-[6,8,8-trimethyl-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]phenyl}-3-methylurea [ACD/IUPAC Name]
1-{2-Fluoro-4-[6,8,8-triméthyl-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]phényl}-3-méthylurée [French] [ACD/IUPAC Name]
Urea, N-[2-fluoro-4-[5,6,7,8-tetrahydro-6,8,8-trimethyl-2-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-5-oxopyrimido[5,4-f][1,4]oxazepin-4-yl]phenyl]-N'-methyl- [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: 1.596
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.50
ACD/KOC (pH 5.5): 363.33
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.50
ACD/KOC (pH 7.4): 363.43
Polar Surface Area: 109 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 368.7±3.0 cm3

Click to predict properties on the Chemicalize site


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