ChemSpider 2D Image | L-869298 | C23H18F8N2O4S

L-869298

  • Molecular FormulaC23H18F8N2O4S
  • Average mass570.452 Da
  • Monoisotopic mass570.085938 Da
  • ChemSpider ID9214250

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{5-[(1S)-1-[3-(Cyclopropyloxy)-4-(difluormethoxy)phenyl]-2-(1-oxido-3-pyridinyl)ethyl]-1,3-thiazol-2-yl}-1,1,1,3,3,3-hexafluor-2-propanol [German] [ACD/IUPAC Name]
2-{5-[(1S)-1-[3-(Cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-3-pyridinyl)ethyl]-1,3-thiazol-2-yl}-1,1,1,3,3,3-hexafluoro-2-propanol [ACD/IUPAC Name]
2-{5-[(1S)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-3-yl)ethyl]-1,3-thiazol-2-yl}-1,1,1,3,3,3-hexafluoropropan-2-ol
2-{5-[(1S)-1-[3-(Cyclopropyloxy)-4-(difluorométhoxy)phényl]-2-(1-oxydo-3-pyridinyl)éthyl]-1,3-thiazol-2-yl}-1,1,1,3,3,3-hexafluoro-2-propanol [French] [ACD/IUPAC Name]
2I921E370K
2-Thiazolemethanol, 5-[(1S)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-3-pyridinyl)ethyl]-α,α-bis(trifluoromethyl)- [ACD/Index Name]
362718-73-8 [RN]
L-869298
(S)-(+)-3-{2-[(3-Cyclopropyloxy-4-difluromethoxy)-phenyl]-2-[5-(2-(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoro)ethyl)-thiazolyl]ethyl}pyridine N-Oxide
2-[5-[(1S)-1-[3-(cyclopropoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-3-pyridin-1-iumyl)ethyl]-2-thiazolyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 591.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.6±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 118.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4150.93
ACD/KOC (pH 5.5): 13479.82
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 1958.72
ACD/KOC (pH 7.4): 6360.78
Polar Surface Area: 105 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 365.0±7.0 cm3

Click to predict properties on the Chemicalize site


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