4-[2-(azepan-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-2519 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C20 H27 N3 O4 S2 |
| Smiles: | C1CCCN(CC1)C(CN1C(CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2919 |
| logD: | 2.2919 |
| logSw: | -2.7776 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.419 |
| InChI Key: | HYNZGLRRLKVLQT-UHFFFAOYSA-N |