3-acetyl-2-butyl-4-hydroxy-1lambda~6~,2-benzothiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-acetyl-2-butyl-4-hydroxy-1lambda~6~,2-benzothiazine-1,1(2H)-dione
3-acetyl-2-butyl-4-hydroxy-1lambda~6~,2-benzothiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | D316-0003 |
| Compound Name: | 3-acetyl-2-butyl-4-hydroxy-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| Molecular Weight: | 295.35 |
| Molecular Formula: | C14 H17 N O4 S |
| Smiles: | CCCCN1C(=C(c2ccccc2S1(=O)=O)O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2991 |
| logD: | 0.9917 |
| logSw: | -2.8263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.82 |
| InChI Key: | UUPKJNSJBRNBGB-UHFFFAOYSA-N |