6-(azepane-1-sulfonyl)-4-[(4-ethenylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[(4-ethenylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[(4-ethenylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | G549-0121 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[(4-ethenylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C23 H26 N2 O3 S2 |
| Smiles: | C=Cc1ccc(CN2C(CSc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8825 |
| logD: | 4.8825 |
| logSw: | -4.6695 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.661 |
| InChI Key: | JXGKTUNKDVCLKF-UHFFFAOYSA-N |