Predicted properties of the compound entered.

ID QJEDEDSEKYYIQI-BUHFOSPRSA-N
Formula C27H15ClF6N4OS
IUPAC Name (2E)-3-[5-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C27H15ClF6N4OS/c28-20-4-2-1-3-19(20)23-21(13-14-22(39)35-18-11-9-17(10-12-18)27(32,33)34)38-25(36-23)40-24(37-38)15-5-7-16(8-6-15)26(29,30)31/h1-14H,(H,35,39)/b14-13+
Standard InChIKey (User Input) InChIKey=QJEDEDSEKYYIQI-BUHFOSPRSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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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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13C NMR prediction -
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