ChemSpider 2D Image | (S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE | C23H18F8N2O4S

(S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE

  • Molecular FormulaC23H18F8N2O4S
  • Average mass570.452 Da
  • Monoisotopic mass570.085938 Da
  • ChemSpider ID4925737

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-OXIDE
2-{2-[(1S)-1-[3-(Cyclopropyloxy)-4-(difluormethoxy)phenyl]-2-(1-oxido-3-pyridinyl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluor-2-propanol [German] [ACD/IUPAC Name]
2-{2-[(1S)-1-[3-(Cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-3-pyridinyl)ethyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoro-2-propanol [ACD/IUPAC Name]
2-{2-[(1S)-1-[3-(CYCLOPROPYLOXY)-4-(DIFLUOROMETHOXY)PHENYL]-2-(1-OXIDOPYRIDIN-3-YL)ETHYL]-1,3-THIAZOL-5-YL}-1,1,1,3,3,3-HEXAFLUOROPROPAN-2-OL
2-{2-[(1S)-1-[3-(Cyclopropyloxy)-4-(difluorométhoxy)phényl]-2-(1-oxydo-3-pyridinyl)éthyl]-1,3-thiazol-5-yl}-1,1,1,3,3,3-hexafluoro-2-propanol [French] [ACD/IUPAC Name]
5-Thiazolemethanol, 2-[(1S)-1-[3-(cyclopropyloxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-3-pyridinyl)ethyl]-α,α-bis(trifluoromethyl)- [ACD/Index Name]
L-869298
M98

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

Density: 1.6±0.1 g/cm3
Boiling Point: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 340.7±31.5 °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: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.91
ACD/KOC (pH 5.5): 1772.98
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 194.48
ACD/KOC (pH 7.4): 1419.51
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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