ChemSpider 2D Image | (6S)-3-[(1R)-1-(2',4'-Difluoro-4-biphenylyl)ethyl]-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one | C26H24F3NO3

(6S)-3-[(1R)-1-(2',4'-Difluoro-4-biphenylyl)ethyl]-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one

  • Molecular FormulaC26H24F3NO3
  • Average mass455.469 Da
  • Monoisotopic mass455.170837 Da
  • ChemSpider ID26611749

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S)-3-[(1R)-1-(2',4'-Difluor-4-biphenylyl)ethyl]-6-(4-fluorphenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-on [German] [ACD/IUPAC Name]
(6S)-3-[(1R)-1-(2',4'-Difluoro-4-biphenylyl)ethyl]-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one [ACD/IUPAC Name]
(6S)-3-[(1R)-1-(2',4'-Difluoro-4-biphénylyl)éthyl]-6-(4-fluorophényl)-6-(2-hydroxyéthyl)-1,3-oxazinan-2-one [French] [ACD/IUPAC Name]
2H-1,3-Oxazin-2-one, 3-[(1R)-1-(2',4'-difluoro[1,1'-biphenyl]-4-yl)ethyl]-6-(4-fluorophenyl)tetrahydro-6-(2-hydroxyethyl)-, (6S)- [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: 615.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.2±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3889.64
ACD/KOC (pH 5.5): 12919.67
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3889.64
ACD/KOC (pH 7.4): 12919.67
Polar Surface Area: 50 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

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