4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-2533 |
| Compound Name: | 4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 409.52 |
| Molecular Formula: | C18 H23 N3 O4 S2 |
| Smiles: | C1CCN(C1)C(CN1C(CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.577 |
| logD: | 1.577 |
| logSw: | -2.4791 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.454 |
| InChI Key: | XKAJADLJKZCACZ-UHFFFAOYSA-N |