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Predicted properties of the compound entered.

ID GFPHEJUBSYYZEF-MFERNQICSA-N
Formula C27H24Cl2F6N8O3S
IUPAC Name 3-{[3,5-bis(trifluoromethyl)-1H-1,2,4-triazol-1-yl]methyl}-N-[4-chloro-2-({1-[(S)-methanesulfinyl]-2-methylpropan-2-yl}carbamoyl)-6-methylphenyl]-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C27H24Cl2F6N8O3S/c1-13-8-14(28)9-16(21(44)39-25(2,3)12-47(4)46)19(13)37-22(45)18-10-15(40-43(18)20-17(29)6-5-7-36-20)11-42-24(27(33,34)35)38-23(41-42)26(30,31)32/h5-10H,11-12H2,1-4H3,(H,37,45)(H,39,44)/t47-/m0/s1
Standard InChIKey (User Input) InChIKey=GFPHEJUBSYYZEF-MFERNQICSA-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.
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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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Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -