Click to view a free sample

Predicted properties of the compound entered.

ID QJIMMTOUBOCZPZ-HXUWFJFHSA-N
Formula C26H25F5N4O3S
IUPAC Name (1R)-1,2,3,4-tetrahydronaphthalen-1-yl 2-(1-{2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-fluoropiperidin-4-yl)-1,3-thiazole-4-carboxylate
SMILES
Standard InChI
Standard InChIKey
Cite this record
Copied
Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C26H25F5N4O3S/c27-22(28)17-12-19(23(29)30)35(33-17)13-21(36)34-10-8-26(31,9-11-34)25-32-18(14-39-25)24(37)38-20-7-3-5-15-4-1-2-6-16(15)20/h1-2,4,6,12,14,20,22-23H,3,5,7-11,13H2/t20-/m1/s1
Standard InChIKey (User Input) InChIKey=QJIMMTOUBOCZPZ-HXUWFJFHSA-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 - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

Mol-Instincts Database

Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -