ChemSpider 2D Image | 4-fluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide | C22H28FN3O5S

4-fluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

  • Molecular FormulaC22H28FN3O5S
  • Average mass465.538 Da
  • Monoisotopic mass465.173370 Da
  • ChemSpider ID26398081

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Fluor-N-{(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-2-[(methylamino)methyl]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-fluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide
4-Fluoro-N-{(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-2-[(methylamino)methyl]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}benzenesulfonamide [ACD/IUPAC Name]
4-Fluoro-N-{(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-méthyl-2-[(méthylamino)méthyl]-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-10-yl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-fluoro-N-[(2S,3S)-3,4,5,6-tetrahydro-5-[(1R)-2-hydroxy-1-methylethyl]-3-methyl-2-[(methylamino)methyl]-6-oxo-2H-1,5-benzoxazocin-10-yl]- [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: 639.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.36
Polar Surface Area: 116 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 359.7±3.0 cm3

Click to predict properties on the Chemicalize site


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