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Predicted properties of the compound entered.

ID GGDDCZOIKBYOJT-UHFFFAOYSA-N
Formula C22H28FN3O5S2
IUPAC Name N-{2-[2-(4-fluorophenyl)ethoxy]ethyl}-3-{[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}propane-1-sulfonamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H28FN3O5S2/c23-18-5-2-16(3-6-18)9-13-31-14-12-25-33(29,30)15-1-10-24-11-8-17-4-7-19(27)20-21(17)32-22(28)26-20/h2-7,24-25,27H,1,8-15H2,(H,26,28)
Standard InChIKey (User Input) InChIKey=GGDDCZOIKBYOJT-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]-3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propane-1-sulfonamide | N-[2-[2-(4-fluorophenyl)ethoxy]ethyl]-3-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]propane-1-sulfonamide
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -