ChemSpider 2D Image | CP-199330 | C28H24ClF3N2O6S

CP-199330

  • Molecular FormulaC28H24ClF3N2O6S
  • Average mass609.013 Da
  • Monoisotopic mass608.099548 Da
  • ChemSpider ID8006051

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

158102-92-2 [RN]
CP-199330
Methanesulfonamide, N-[3-[[(3R,4R)-6-[(7-chloro-2-quinolinyl)methoxy]-3,4-dihydro-4-hydroxy-2H-1-benzopyran-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoro- [ACD/Index Name]
N-[3-({(3R,4R)-6-[(7-Chlor-2-chinolinyl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl}methyl)-4-methoxyphenyl]-1,1,1-trifluormethansulfonamid [German] [ACD/IUPAC Name]
N-[3-({(3R,4R)-6-[(7-Chloro-2-quinoléinyl)méthoxy]-4-hydroxy-3,4-dihydro-2H-chromén-3-yl}méthyl)-4-méthoxyphényl]-1,1,1-trifluorométhanesulfonamide [French] [ACD/IUPAC Name]
N-[3-({(3R,4R)-6-[(7-Chloro-2-quinolinyl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl}methyl)-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide [ACD/IUPAC Name]
N-[3-({(3R,4R)-6-[(7-chloroquinolin-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl}methyl)-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide
V4WYK6T8QA
158102-92-2 (CP-199330)
CHEMBL96206
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 687.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.5±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 6230.69
ACD/KOC (pH 5.5): 12313.56
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 341.94
ACD/KOC (pH 7.4): 675.77
Polar Surface Area: 115 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 407.5±3.0 cm3

Click to predict properties on the Chemicalize site


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