ChemSpider 2D Image | 8-Chloro-7-fluoro-4-(2-phenylethyl)-5-(2-propyn-1-yloxy)-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine 1,1-dioxide | C18H16ClFN2O3S

8-Chloro-7-fluoro-4-(2-phenylethyl)-5-(2-propyn-1-yloxy)-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine 1,1-dioxide

  • Molecular FormulaC18H16ClFN2O3S
  • Average mass394.848 Da
  • Monoisotopic mass394.055420 Da
  • ChemSpider ID21897386

More details:

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

1,1-Dioxyde de 8-chloro-7-fluoro-4-(2-phényléthyl)-5-(2-propyn-1-yloxy)-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine [French] [ACD/IUPAC Name]
2H-Pyrido[4,3-b]-1,4-thiazine, 8-chloro-7-fluoro-3,4-dihydro-4-(2-phenylethyl)-5-(2-propyn-1-yloxy)-, 1,1-dioxide [ACD/Index Name]
8-Chlor-7-fluor-4-(2-phenylethyl)-5-(2-propin-1-yloxy)-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazin-1,1-dioxid [German] [ACD/IUPAC Name]
8-Chloro-7-fluoro-4-(2-phenylethyl)-5-(2-propyn-1-yloxy)-3,4-dihydro-2H-pyrido[4,3-b][1,4]thiazine 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.9±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.98
ACD/KOC (pH 5.5): 999.86
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.98
ACD/KOC (pH 7.4): 999.86
Polar Surface Area: 68 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 282.3±3.0 cm3

Click to predict properties on the Chemicalize site


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