ChemSpider 2D Image | (4R)-N-(6-Fluoro-2-pyridinyl)-4-[2-(1H-1,2,3-triazol-1-yl)-4-(trifluoromethyl)phenyl]-7-chromanesulfonamide | C23H17F4N5O3S

(4R)-N-(6-Fluoro-2-pyridinyl)-4-[2-(1H-1,2,3-triazol-1-yl)-4-(trifluoromethyl)phenyl]-7-chromanesulfonamide

  • Molecular FormulaC23H17F4N5O3S
  • Average mass519.471 Da
  • Monoisotopic mass519.098816 Da
  • ChemSpider ID129035108

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-N-(6-Fluor-2-pyridinyl)-4-[2-(1H-1,2,3-triazol-1-yl)-4-(trifluormethyl)phenyl]-7-chromansulfonamid [German] [ACD/IUPAC Name]
(4R)-N-(6-Fluoro-2-pyridinyl)-4-[2-(1H-1,2,3-triazol-1-yl)-4-(trifluoromethyl)phenyl]-7-chromanesulfonamide [ACD/IUPAC Name]
(4R)-N-(6-Fluoro-2-pyridinyl)-4-[2-(1H-1,2,3-triazol-1-yl)-4-(trifluorométhyl)phényl]-7-chromanesulfonamide [French] [ACD/IUPAC Name]
2H-1-Benzopyran-7-sulfonamide, N-(6-fluoro-2-pyridinyl)-3,4-dihydro-4-[2-(1H-1,2,3-triazol-1-yl)-4-(trifluoromethyl)phenyl]-, (4R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 641.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.9±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 540.98
ACD/KOC (pH 5.5): 2923.82
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 34.94
ACD/KOC (pH 7.4): 188.81
Polar Surface Area: 107 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 333.1±7.0 cm3

Click to predict properties on the Chemicalize site


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