6-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
6-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E699-3193 |
| Compound Name: | 6-[4-(azepan-1-yl)-4-oxobutane-2-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 410.55 |
| Molecular Formula: | C19 H26 N2 O4 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(C(C)CC(N1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5416 |
| logD: | 2.5416 |
| logSw: | -3.0376 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.34 |
| InChI Key: | DVMLDMNGTJEBDL-UHFFFAOYSA-N |