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Predicted properties of the compound entered.

ID GEWFPNJRBPAMNA-HSZRJFAPSA-N
Formula C28H28F4N6O3S
IUPAC Name 2-[(5R)-3-[2-(1-{2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazol-4-yl]-4,5-dihydro-1,2-oxazol-5-yl]-N-cyclopropylbenzamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C28H28F4N6O3S/c29-25(30)20-11-22(26(31)32)38(35-20)13-24(39)37-9-7-15(8-10-37)28-34-21(14-42-28)19-12-23(41-36-19)17-3-1-2-4-18(17)27(40)33-16-5-6-16/h1-4,11,14-16,23,25-26H,5-10,12-13H2,(H,33,40)/t23-/m1/s1
Standard InChIKey (User Input) InChIKey=GEWFPNJRBPAMNA-HSZRJFAPSA-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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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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