ChemSpider 2D Image | N-(3-{(1S)-1-[(2R)-6-Hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide | C31H33F3N2O5S

N-(3-{(1S)-1-[(2R)-6-Hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide

  • Molecular FormulaC31H33F3N2O5S
  • Average mass602.664 Da
  • Monoisotopic mass602.206238 Da
  • ChemSpider ID117449

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinesulfonamide, N-[3-[(1S)-1-[(2R)-3,4-dihydro-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-2H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)- [ACD/Index Name]
N-(3-{(1S)-1-[(2R)-6-Hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phenyl)-5-(trifluormethyl)-2-pyridinsulfonamid [German] [ACD/IUPAC Name]
N-(3-{(1S)-1-[(2R)-6-Hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide [ACD/IUPAC Name]
N-(3-{(1S)-1-[(2R)-6-Hydroxy-4-oxo-2-(2-phényléthyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phényl)-5-(trifluorométhyl)-2-pyridinesulfonamide [French] [ACD/IUPAC Name]
(R-(R*,S*))-N-(3-(1-(5,6-Dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-2-pyridinesulfonamide
(R-(R',S'))-N-(3-(1-(5,6-DIHYDRO-4-HYDROXY-2-OXO-6-(2-PHENYLETHYL)-6-PROPYL-2H-PYRAN-3-YL)PROPYL)PHENYL)- 5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
174590-27-3 [RN]
2-Pyridinesulfonamide, N-(3-((1S)-1-((6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-
2-Pyridinesulfonamide, N-(3-(1-(5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-, (R-(R*.S*))-
Tipranavir analog 17
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS007998 [DBID]
AIDS-007998 [DBID]
U-141166 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.1±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 3444.99
ACD/KOC (pH 5.5): 5483.84
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 4.84
ACD/KOC (pH 7.4): 7.71
Polar Surface Area: 114 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 459.0±3.0 cm3

Click to predict properties on the Chemicalize site


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