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Predicted properties of the compound entered.

ID GEPAZZGAZWLFHR-UHFFFAOYSA-N
Formula C19H15N3O2S
IUPAC Name 2-(2-ethoxyphenyl)-5-phenyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C19H15N3O2S/c1-2-24-16-11-7-6-10-14(16)18-21-22-17(23)12-15(20-19(22)25-18)13-8-4-3-5-9-13/h3-12H,2H2,1H3
Standard InChIKey (User Input) InChIKey=GEPAZZGAZWLFHR-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 2-(2-ethoxyphenyl)-7-phenyl-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one | 2-(2-Ethoxyphenyl)-7-phenyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
This prediction is based on QSPR only and is the first basic approximate estimation.
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 - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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