3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Chemical Structure Depiction of
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D316-0146 |
| Compound Name: | 3-acetyl-1,1-dioxo-2-(propan-2-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl (4-methylphenoxy)acetate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H23 N O6 S |
| Smiles: | CC(C)N1C(=C(c2ccccc2S1(=O)=O)OC(COc1ccc(C)cc1)=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6383 |
| logD: | 3.6383 |
| logSw: | -3.9353 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.486 |
| InChI Key: | HWJNMDRZSHIOOP-UHFFFAOYSA-N |