6-(azepane-1-sulfonyl)-4-[(2,4,6-trimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[(2,4,6-trimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[(2,4,6-trimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | G549-0114 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[(2,4,6-trimethylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 458.64 |
| Molecular Formula: | C24 H30 N2 O3 S2 |
| Smiles: | Cc1cc(C)c(CN2C(CSc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7055 |
| logD: | 5.7055 |
| logSw: | -5.2243 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.661 |
| InChI Key: | IWTWXTPZZWRVEQ-UHFFFAOYSA-N |