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Predicted properties of the compound entered.

ID QKHYIMUJIVRLOX-YTTGMZPUSA-N
Formula C34H39N3O4
IUPAC Name 4-[4-({4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl}methyl)phenoxy]benzoic acid
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C34H39N3O4/c38-33(39)27-13-17-31(18-14-27)41-30-15-11-25(12-16-30)23-35-21-19-29(20-22-35)37-32(26-7-3-1-4-8-26)24-36(34(37)40)28-9-5-2-6-10-28/h1,3-4,7-8,11-18,28-29,32H,2,5-6,9-10,19-24H2,(H,38,39)/t32-/m0/s1
Standard InChIKey (User Input) InChIKey=QKHYIMUJIVRLOX-YTTGMZPUSA-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 -
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