3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | E699-2418 |
| Compound Name: | 3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | CC(CC(NCCc1ccccc1)=O)S(c1ccc2c(c1)NC(CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4087 |
| logD: | 1.4087 |
| logSw: | -2.3538 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.873 |
| InChI Key: | MSYLSTVMLRWUPS-AWEZNQCLSA-N |