ChemSpider 2D Image | (4S)-2'-(3,6-Dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine | C25H19F2N3O3

(4S)-2'-(3,6-Dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine

  • Molecular FormulaC25H19F2N3O3
  • Average mass447.434 Da
  • Monoisotopic mass447.139435 Da
  • ChemSpider ID35035223

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2'-(3,6-Dihydro-2H-pyran-4-yl)-4'-fluor-7'-(2-fluor-3-pyridinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amin [German] [ACD/IUPAC Name]
(4S)-2'-(3,6-Dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine [ACD/IUPAC Name]
(4S)-2'-(3,6-Dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine [French] [ACD/IUPAC Name]
(4s)-2'-(3,6-Dihydro-2h-Pyran-4-Yl)-4'-Fluoro-7'-(2-Fluoropyridin-3-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
Spiro[oxazole-4(5H),9'-[9H]xanthen]-2-amine, 2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-, (4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 648.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.7±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 339.51
ACD/KOC (pH 5.5): 1976.90
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 535.65
ACD/KOC (pH 7.4): 3119.02
Polar Surface Area: 79 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 300.4±7.0 cm3

Click to predict properties on the Chemicalize site


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