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Predicted properties of the compound entered.

ID ABNSKZJAVMCYQT-GFCCVEGCSA-N
Formula C21H23Cl2FN4O3
IUPAC Name 2-methoxyethyl 5-chloro-6-(2-chloro-4-fluorophenyl)-7-{[(2R)-3-methylbutan-2-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C21H23Cl2FN4O3/c1-11(2)12(3)26-20-17(14-6-5-13(24)9-16(14)22)18(23)27-19-15(10-25-28(19)20)21(29)31-8-7-30-4/h5-6,9-12,26H,7-8H2,1-4H3/t12-/m1/s1
Standard InChIKey (User Input) InChIKey=ABNSKZJAVMCYQT-GFCCVEGCSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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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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13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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