2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K786-6369 |
| Compound Name: | 2-[6-(azepane-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 517.62 |
| Molecular Formula: | C24 H27 N3 O6 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(NCc1ccc3c(c1)OCO3)=O)C(CS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1848 |
| logD: | 3.1848 |
| logSw: | -3.5434 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.248 |
| InChI Key: | VQPQWLRGMWMKCQ-UHFFFAOYSA-N |