6-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-2-ethyl-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-2-ethyl-2H-1,4-benzothiazin-3(4H)-one
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-2-ethyl-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-0933 |
| Compound Name: | 6-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-2-ethyl-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 486.65 |
| Molecular Formula: | C25 H30 N2 O4 S2 |
| Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(N1CCC(CC1)Cc1ccccc1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0016 |
| logD: | 4.0016 |
| logSw: | -4.1407 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.002 |
| InChI Key: | AUBCSHKNCGHSDM-JOCHJYFZSA-N |