Chemical Properties of Sulforidazine M (nor-), monoacetylated

InChI

InChI=1S/C22H26N2O3S2/c1-16(25)23-13-6-5-7-17(23)12-14-24-19-8-3-4-9-21(19)28-22-11-10-18(15-20(22)24)29(2,26)27/h3-4,8-11,15,17H,5-7,12-14H2,1-2H3

InChI Key

VPKWFQLEEXLAAT-UHFFFAOYSA-N

Formula

C22H26N2O3S2

SMILES

CC(=O)N1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)(=O)=O)cc21

Molecular Weight¹

430.58

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.28	eV	Relay (1.0) Calculated Property
logPoct/wat	4.484		Crippen Calculated Property
McVol	317.570	ml/mol	McGowan Calculated Property
Inp	[3800.00; 3800.00]
Inp	3800.00		NIST
Inp	3800.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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 Sulforidazine M (nor-), monoacetylated.

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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