ChemSpider 2D Image | 1-(2-Fluorophenyl)-3-{2-[(2R)-2-morpholinyl]ethyl}-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide | C18H20FN3O3S

1-(2-Fluorophenyl)-3-{2-[(2R)-2-morpholinyl]ethyl}-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide

  • Molecular FormulaC18H20FN3O3S
  • Average mass377.433 Da
  • Monoisotopic mass377.120941 Da
  • ChemSpider ID26611302

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-Fluorophenyl)-3-{2-[(2R)-2-morpholinyl]ethyl}-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide [ACD/IUPAC Name]
1-(2-Fluorphenyl)-3-{2-[(2R)-2-morpholinyl]ethyl}-1,3-dihydro-2,1,3-benzothiadiazol-2,2-dioxid [German] [ACD/IUPAC Name]
2,1,3-Benzothiadiazole, 1-(2-fluorophenyl)-1,3-dihydro-3-[2-[(2R)-2-morpholinyl]ethyl]-, 2,2-dioxide [ACD/Index Name]
2,2-Dioxyde de 1-(2-fluorophényl)-3-{2-[(2R)-2-morpholinyl]éthyl}-1,3-dihydro-2,1,3-benzothiadiazole [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: 539.4±58.0 °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: 280.0±32.3 °C
Index of Refraction: 1.604
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.46
Polar Surface Area: 70 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 282.7±3.0 cm3

Click to predict properties on the Chemicalize site


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