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Predicted properties of the compound entered.

ID GFPIXZSWPOYFJP-YCOUNJNZSA-N
Formula C22H27N7O4S
IUPAC Name (2S)-N-[4-({[(E)-[(5-methyl-1H-1,2,3,4-tetrazol-1-yl)(phenyl)methylidene]amino]oxy}methyl)-1,3-thiazol-2-yl]-2-[(2S)-oxan-2-ylmethoxy]propanamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H27N7O4S/c1-15(32-13-19-10-6-7-11-31-19)21(30)24-22-23-18(14-34-22)12-33-26-20(17-8-4-3-5-9-17)29-16(2)25-27-28-29/h3-5,8-9,14-15,19H,6-7,10-13H2,1-2H3,(H,23,24,30)/b26-20+/t15-,19-/m0/s1
Standard InChIKey (User Input) InChIKey=GFPIXZSWPOYFJP-YCOUNJNZSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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 -