ChemSpider 2D Image | N-{(1r)-1-[4-(2-Chloro-5-Fluoropyridin-3-Yl)phenyl]ethyl}-3,5-Dimethylisoxazole-4-Sulfonamide | C18H17ClFN3O3S

N-{(1r)-1-[4-(2-Chloro-5-Fluoropyridin-3-Yl)phenyl]ethyl}-3,5-Dimethylisoxazole-4-Sulfonamide

  • Molecular FormulaC18H17ClFN3O3S
  • Average mass409.862 Da
  • Monoisotopic mass409.066315 Da
  • ChemSpider ID26328405
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-Isoxazolesulfonamide, N-[(1R)-1-[4-(2-chloro-5-fluoro-3-pyridinyl)phenyl]ethyl]-3,5-dimethyl- [ACD/Index Name]
N-{(1R)-1-[4-(2-Chlor-5-fluor-3-pyridinyl)phenyl]ethyl}-3,5-dimethyl-1,2-oxazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-{(1R)-1-[4-(2-Chloro-5-fluoro-3-pyridinyl)phenyl]ethyl}-3,5-dimethyl-1,2-oxazole-4-sulfonamide [ACD/IUPAC Name]
N-{(1R)-1-[4-(2-Chloro-5-fluoro-3-pyridinyl)phényl]éthyl}-3,5-diméthyl-1,2-oxazole-4-sulfonamide [French] [ACD/IUPAC Name]
N-{(1r)-1-[4-(2-Chloro-5-Fluoropyridin-3-Yl)phenyl]ethyl}-3,5-Dimethylisoxazole-4-Sulfonamide
ORB

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 567.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.0±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 100.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.94
ACD/KOC (pH 5.5): 1064.41
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.44
ACD/KOC (pH 7.4): 1050.96
Polar Surface Area: 93 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

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