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Predicted properties of the compound entered.

ID AAZOUMYVCNRDMB-UHFFFAOYSA-N
Formula C26H30N2O5S2
IUPAC Name 4-hydroxy-7-(2-{[3-({2-[2-(naphthalen-1-yl)ethoxy]ethane}sulfonyl)propyl]amino}ethyl)-2,3-dihydro-1,3-benzothiazol-2-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C26H30N2O5S2/c29-23-10-9-21(25-24(23)28-26(30)34-25)11-14-27-13-4-17-35(31,32)18-16-33-15-12-20-7-3-6-19-5-1-2-8-22(19)20/h1-3,5-10,27,29H,4,11-18H2,(H,28,30)
Standard InChIKey (User Input) InChIKey=AAZOUMYVCNRDMB-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 4-hydroxy-7-[2-[3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylamino]ethyl]-3H-1,3-benzothiazol-2-one | 4-hydroxy-7-[2-[3-[2-[2-(1-naphthyl)ethoxy]ethylsulfonyl]propylamino]ethyl]-3H-1,3-benzothiazol-2-one
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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 -
COSY -
HSQC/HMBC prediction -
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