Chemical Properties of Trimethylsilyl 3-(aminosulfonyl)-5-[butyl(trimethylsilyl)amino]-4-phenoxybenzoate

InChI

InChI=1S/C23H36N2O5SSi2/c1-8-9-15-25(32(2,3)4)20-16-18(23(26)30-33(5,6)7)17-21(31(24,27)28)22(20)29-19-13-11-10-12-14-19/h10-14,16-17H,8-9,15H2,1-7H3,(H2,24,27,28)

InChI Key

WQPNCSWEDODDPM-UHFFFAOYSA-N

Formula

C23H36N2O5SSi2

SMILES

CCCCN(c1cc(C(=O)O[Si](C)(C)C)cc(S(N)(=O)=O)c1Oc1ccccc1)[Si](C)(C)C

Molecular Weight¹

508.79

Other Names

• Bumetanide, 2tms derivative

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Trimethylsilyl 3-(aminosulfonyl)-5-[butyl(trimethylsilyl)amino]-4-phenoxybenzoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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