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Predicted properties of the compound entered.

ID AAMZZEUOWZRYJF-UHFFFAOYSA-N
Formula C31H27Cl2N9O2
IUPAC Name N-[2-(tert-butylcarbamoyl)-4-cyano-6-methylphenyl]-3-{[4-(2-chlorophenyl)-2H-1,2,3-triazol-2-yl]methyl}-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/C31H27Cl2N9O2/c1-18-12-19(15-34)13-22(29(43)38-31(2,3)4)27(18)37-30(44)26-14-20(39-42(26)28-24(33)10-7-11-35-28)17-41-36-16-25(40-41)21-8-5-6-9-23(21)32/h5-14,16H,17H2,1-4H3,(H,37,44)(H,38,43)
Standard InChIKey (User Input) InChIKey=AAMZZEUOWZRYJF-UHFFFAOYSA-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 -
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HSQC/HMBC prediction -
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