Chemical Properties of Furosemide tetra-methyl derivative

InChI

InChI=1S/C16H19ClN2O5S/c1-18(2)25(21,22)15-8-12(16(20)23-4)14(9-13(15)17)19(3)10-11-6-5-7-24-11/h5-9H,10H2,1-4H3

InChI Key

MRRJJFRJZYQHSF-UHFFFAOYSA-N

Formula

C16H19ClN2O5S

SMILES

COC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N(C)Cc1ccco1

Molecular Weight¹

386.85

Other Names

• Furosemide Me, #2

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

Physical Properties

Property	Value	Unit	Source
log10WS	-4.34		Relay (1.0) Calculated Property
logPoct/wat	2.606		Crippen Calculated Property
McVol	266.680	ml/mol	McGowan Calculated Property
Inp	[2742.00; 2742.00]
Inp	2742.00		NIST
Inp	2742.00		NIST
Tfus	398.38	K	Relay (1.0) Calculated Property

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 Furosemide tetra-methyl derivative.

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
• McGowan Method
• NIST Webbook

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