ChemSpider 2D Image | 6-[(8-Fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diisopropyl-3-pyridinesulfonamide | C20H26FN3O2S2

6-[(8-Fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diisopropyl-3-pyridinesulfonamide

  • Molecular FormulaC20H26FN3O2S2
  • Average mass423.568 Da
  • Monoisotopic mass423.145050 Da
  • ChemSpider ID26171933

More details:

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

3-Pyridinesulfonamide, 6-[(8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-N,N-bis(1-methylethyl)- [ACD/Index Name]
6-[(8-Fluor-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diisopropyl-3-pyridinsulfonamid [German] [ACD/IUPAC Name]
6-[(8-Fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diisopropyl-3-pyridinesulfonamide [ACD/IUPAC Name]
6-[(8-Fluoro-3,4-dihydro-2H-thiochromén-4-yl)amino]-N,N-diisopropyl-3-pyridinesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 279.9±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3796.25
ACD/KOC (pH 5.5): 12662.17
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3832.49
ACD/KOC (pH 7.4): 12783.05
Polar Surface Area: 96 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 330.4±3.0 cm3

Click to predict properties on the Chemicalize site


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