3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | E699-3234 |
| Compound Name: | 3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C21 H24 N2 O4 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(C(C)CC(NCCc1ccccc1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2298 |
| logD: | 2.2298 |
| logSw: | -2.9697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.93 |
| InChI Key: | QBIGQPOYPPXVME-UHFFFAOYSA-N |