Predicted properties of the compound entered.

ID QJBMQGRQTUEXLC-SJIPCVTESA-N
Formula C26H27FN8O3
IUPAC Name N-[6-({[(Z)-[(4-fluoro-3-phenoxyphenyl)(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methylidene]amino]oxy}methyl)-2-methylpyrimidin-4-yl]-2,2-dimethylpropanamide
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Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C26H27FN8O3/c1-16-28-18(14-22(29-16)30-25(36)26(2,3)4)15-37-32-23(24-31-33-34-35(24)5)17-11-12-20(27)21(13-17)38-19-9-7-6-8-10-19/h6-14H,15H2,1-5H3,(H,28,29,30,36)/b32-23-
Standard InChIKey (User Input) InChIKey=QJBMQGRQTUEXLC-SJIPCVTESA-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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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -