ChemSpider 2D Image | N-[4-Fluoro-2-(1H-1,2,4-triazol-1-yl)benzyl]-3'-hydroxy-4'-oxo-2,3,5,6,7',8'-hexahydro-4'H,6'H-spiro[pyran-4,10'-pyrimido[2,1-c][1,4]oxazepine]-2'-carboxamide | C22H23FN6O5

N-[4-Fluoro-2-(1H-1,2,4-triazol-1-yl)benzyl]-3'-hydroxy-4'-oxo-2,3,5,6,7',8'-hexahydro-4'H,6'H-spiro[pyran-4,10'-pyrimido[2,1-c][1,4]oxazepine]-2'-carboxamide

  • Molecular FormulaC22H23FN6O5
  • Average mass470.454 Da
  • Monoisotopic mass470.171387 Da
  • ChemSpider ID34540241

More details:

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

N-[4-Fluoro-2-(1H-1,2,4-triazol-1-yl)benzyl]-3'-hydroxy-4'-oxo-2,3,5,6,7',8'-hexahydro-4'H,6'H-spiro[pyran-4,10'-pyrimido[2,1-c][1,4]oxazepine]-2'-carboxamide [ACD/IUPAC Name]
Spiro[4H-pyran-4,10'(4'H)-[6H]pyrimido[2,1-c][1,4]oxazepine]-2'-carboxamide, N-[[4-fluoro-2-(1H-1,2,4-triazol-1-yl)phenyl]methyl]-2,3,5,6,7',8'-hexahydro-3'-hydroxy-4'-oxo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.13
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 297.3±7.0 cm3

Click to predict properties on the Chemicalize site


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