ChemSpider 2D Image | 8-[(1-Fluorocyclobutyl)carbonyl]-3-(2-methoxyethyl)octahydropyrimido[4,5-f][1,4]oxazepin-4(1H)-one | C15H24FN3O4

8-[(1-Fluorocyclobutyl)carbonyl]-3-(2-methoxyethyl)octahydropyrimido[4,5-f][1,4]oxazepin-4(1H)-one

  • Molecular FormulaC15H24FN3O4
  • Average mass329.367 Da
  • Monoisotopic mass329.175079 Da
  • ChemSpider ID111568310

More details:

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

8-[(1-Fluorcyclobutyl)carbonyl]-3-(2-methoxyethyl)octahydropyrimido[4,5-f][1,4]oxazepin-4(1H)-on [German] [ACD/IUPAC Name]
8-[(1-Fluorocyclobutyl)carbonyl]-3-(2-methoxyethyl)octahydropyrimido[4,5-f][1,4]oxazepin-4(1H)-one [ACD/IUPAC Name]
8-[(1-Fluorocyclobutyl)carbonyl]-3-(2-méthoxyéthyl)octahydropyrimido[4,5-f][1,4]oxazépin-4(1H)-one [French] [ACD/IUPAC Name]
Pyrimido[4,5-f][1,4]oxazepin-4(1H)-one, 8-[(1-fluorocyclobutyl)carbonyl]octahydro-3-(2-methoxyethyl)- [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: 531.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 80.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.77
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.90
Polar Surface Area: 71 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 253.1±5.0 cm3

Click to predict properties on the Chemicalize site


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