6-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
6-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-1304 |
| Compound Name: | 6-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C18 H24 N2 O4 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(CCC(N1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0096 |
| logD: | 2.0096 |
| logSw: | -2.8599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.604 |
| InChI Key: | YSJWWZFGAJQJCP-CYBMUJFWSA-N |